A0A087XQD2_POEFO Loading...

Cell division cycle associated 8

AlphaFold DB , UniProt , Accession A0A087XQD2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 278 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M49.8Very low59.4Low246 Ų246182.7 Ų182.7100%1.21288%0.875SS**  0141.10-65.2-178.577.500109
2A49.9Very low59.6Low94 Ų94184.2 Ų184.278%0.77787%0.874SS**  trans-92.7141.8177.200000111.6
3P57.9Low60.3Low126 Ų126179.7 Ų179.782%0.81886%0.859SS**  trans-74.5130.3-175.529.4-34.2000112K5P3-K5 PolarHBondContact O-N 3.25Å
4R58.3Low61.9Low249 Ų249170 Ų17094%0.9482%0.819SS**  trans-78.5105.7-175.7-151.3176.9-169.3-170.54.1110.1R6R4-R6 PolarHBondContact O-N 3.36Å; R4-R6 VanDerWaalsContact O-N 3.1Å
5K61.3Low63.4Low198 Ų198165.6 Ų165.686%0.86181%0.81SS**  trans-56.9114.5177.4-76.4-175.2176.4179.50110.9P3 T7P3-K5 PolarHBondContact O-N 3.25Å; K5-T7 PolarHBondContact O-N 3.1Å
6R61.8Low65.1Low240 Ų240166.2 Ų166.291%0.90681%0.807SS**  trans-76.4111.8177.9-152.5175.2-173.9-177.61.1108.6R4 T8R4-R6 PolarHBondContact O-N 3.36Å; R4-R6 VanDerWaalsContact O-N 3.1Å; R6-T8 PolarHBondContact O-N 3.15Å; R6-T8 VanDerWaalsContact O-N 3.15Å
7T61.2Low66.5Low126 Ų126160.7 Ų160.777%0.77379%0.786SS**  trans-8194-17943.40000110.9K5 K9K5-T7 PolarHBondContact O-N 3.1Å; T7-K9 PolarHBondContact O-N 2.95Å
8T65.2Low67.9Low131 Ų131154.4 Ų154.480%0.80476%0.764SS**  trans-62.5106.9171.5-42.60000109R6 Q10R6-T8 PolarHBondContact O-N 3.15Å; R6-T8 VanDerWaalsContact O-N 3.15Å; T8-Q10 PolarHBondContact O-N 3.02Å
9K60.3Low69.3Low196 Ų196154.7 Ų154.785%0.85276%0.76SS**  trans-65.8102177.8-76.9-177.6178175.60109.4T7 R11T7-K9 PolarHBondContact O-N 2.95Å; K9-R11 PolarHBondContact O-N 3.43Å
10Q64.8Low70.6Confident171 Ų171152.2 Ų152.280%0.79975%0.749SS**  trans-44.9124.5164.1-79.4-79.3-8.800109.7T8 K12T8-Q10 PolarHBondContact O-N 3.02Å; Q10-K12 PolarHBondContact O-N 3.27Å
11R62.5Low71.7Confident233 Ų233150.2 Ų150.288%0.87974%0.738SS**  trans-62.3111.5172.8-91.3-175.4170.9-178.5-2107.6K9 N13K9-R11 PolarHBondContact O-N 3.43Å; R11-N13 PolarHBondContact O-N 2.85Å
12K62.4Low73.9Confident200 Ų200140.5 Ų140.587%0.8770%0.697SS**  trans-74.997.2172.6-69.9-174.5177.1-175.80108.3Q10 S14Q10-K12 PolarHBondContact O-N 3.27Å; K12-S14 PolarHBondContact O-N 3.07Å
13N68.3Low76.2Confident126 Ų126142.5 Ų142.567%0.67469%0.689SS**  trans-53124.3167.7-71.9-0.3000108R11R11-N13 PolarHBondContact O-N 2.85Å
14S82.3Confident78.1Confident44 Ų44140.7 Ų140.731%0.30867%0.672SS.*  trans-72.5144.2-177820000109.2K12 K16 T17 A18K12-S14 PolarHBondContact O-N 3.07Å; S14-K16 PolarHBondContact O-N 3.36Å; S14-K16 PolarHBondContact OG-N 3.2Å; S14-T17 PolarHBondContact N-OG1 2.87Å; S14-T17 PolarHBondContact O-N 3.06Å; S14-T17 VanDerWaalsContact O-N 3.12Å; S14-T17 PolarHBondContact O-OG1 2.94Å; S14-T17 WeakPolarHBondContact OG-CB 3.43Å; S14-T17 WeakPolarHBondContact OG-CG2 3.29Å; S14-T17 PolarHBondContact OG-N 3.07Å; S14-T17 PolarHBondContact OG-OG1 3.16Å; S14-A18 PolarHBondContact O-N 2.81Å; S14-A18 VanDerWaalsContact O-N 3.16Å
15P85.1Confident80Confident104 Ų104135.1 Ų135.168%0.67566%0.656SS**THydrogen-bonded Turntrans-66.8-5.6175.328.7-36000112.8K19P15-K19 WeakPolarHBondContact O-CD 3.48Å; P15-K19 VanDerWaalsContact O-CG 3.27Å; P15-K19 WeakPolarHBondContact O-CG 3.39Å
16K89.9Confident81.7Confident175 Ų175130.8 Ų130.876%0.76164%0.643SS**THydrogen-bonded Turntrans-85.8-44.6170.7-65.6-174.3178-175.50111.6S14 K19 L20S14-K16 PolarHBondContact O-N 3.36Å; S14-K16 PolarHBondContact OG-N 3.2Å; K16-K19 PolarHBondContact O-N 2.92Å; K16-L20 PolarHBondContact O-N 3.2Å
17T90.2Very high83.5Confident73 Ų73124.5 Ų124.545%0.44862%0.622SS.*Hα-helixtrans-65.4-44178.445.90000111.2S14 K19 L20 E21S14-T17 PolarHBondContact N-OG1 2.87Å; S14-T17 PolarHBondContact O-N 3.06Å; S14-T17 VanDerWaalsContact O-N 3.12Å; S14-T17 PolarHBondContact O-OG1 2.94Å; S14-T17 WeakPolarHBondContact OG-CB 3.43Å; S14-T17 WeakPolarHBondContact OG-CG2 3.29Å; S14-T17 PolarHBondContact OG-N 3.07Å; S14-T17 PolarHBondContact OG-OG1 3.16Å; T17-K19 VanDerWaalsContact C-N 3.26Å; T17-K19 PolarHBondContact O-N 3.05Å; T17-L20 PolarHBondContact O-N 2.97Å; T17-L20 VanDerWaalsContact O-N 3.12Å; T17-E21 WeakPolarHBondContact O-CB 3.4Å; T17-E21 PolarHBondContact O-N 3.12Å
18A91.2Very high85.2Confident47 Ų47122.4 Ų122.439%0.38861%0.606SS.*Hα-helixtrans-62.6-30.2176.700000113.5S14 A22S14-A18 PolarHBondContact O-N 2.81Å; S14-A18 VanDerWaalsContact O-N 3.16Å; A18-A22 PolarHBondContact O-N 3.08Å
19K94Very high86.8Confident160 Ų160119.1 Ų119.170%0.69659%0.588SS**Hα-helixtrans-75.7-34.9174.4-76.1-178.6179.3-164.20113P15 K16 T17 F23P15-K19 WeakPolarHBondContact O-CD 3.48Å; P15-K19 VanDerWaalsContact O-CG 3.27Å; P15-K19 WeakPolarHBondContact O-CG 3.39Å; K16-K19 PolarHBondContact O-N 2.92Å; T17-K19 VanDerWaalsContact C-N 3.26Å; T17-K19 PolarHBondContact O-N 3.05Å; K19-F23 WeakPolarHBondContact O-CB 3.49Å; K19-F23 PolarHBondContact O-N 2.9Å; K19-F23 VanDerWaalsContact O-N 3.17Å
20L95.8Very high88.6Confident105 Ų105115.2 Ų115.255%0.5557%0.573SS.*Hα-helixtrans-69.9-40.9175.318062.6000110.8K16 T17 F23 L24K16-L20 PolarHBondContact O-N 3.2Å; T17-L20 PolarHBondContact O-N 2.97Å; T17-L20 VanDerWaalsContact O-N 3.12Å; L20-F23 PolarHBondContact O-N 3.47Å; L20-L24 HydrophobicContact CG-CD1 4.23Å; L20-L24 WeakPolarHBondContact O-CG 3.27Å; L20-L24 PolarHBondContact O-N 3.12Å
21E94.4Very high90.2Very high110 Ų110110.1 Ų110.151%0.51455%0.554SS.*Hα-helixtrans-58.2-54.3175.3-171.4166.2-148.100111T17 F23 L24 E25T17-E21 WeakPolarHBondContact O-CB 3.4Å; T17-E21 PolarHBondContact O-N 3.12Å; E21-F23 VanDerWaalsContact C-N 3.31Å; E21-F23 PolarHBondContact O-N 3.01Å; E21-L24 PolarHBondContact O-N 3.1Å; E21-E25 PolarHBondContact O-N 2.91Å
22A95.4Very high91.9Very high43 Ų43105.9 Ų105.936%0.35554%0.542SS..Hα-helixtrans-58-38.6175.200000113.4A18 L24 E25 D26A18-A22 PolarHBondContact O-N 3.08Å; A22-L24 VanDerWaalsContact C-N 3.34Å; A22-L24 PolarHBondContact O-N 2.99Å; A22-E25 PolarHBondContact O-N 3.34Å; A22-D26 PolarHBondContact O-N 2.95Å
23F97.8Very high93.6Very high135 Ų135100.3 Ų100.359%0.59253%0.525SS*.Hα-helixtrans-66.4-34.8176.5-178.8-94.5000112.9K19 L20 E21 F27K19-F23 WeakPolarHBondContact O-CB 3.49Å; K19-F23 PolarHBondContact O-N 2.9Å; K19-F23 VanDerWaalsContact O-N 3.17Å; L20-F23 PolarHBondContact O-N 3.47Å; E21-F23 VanDerWaalsContact C-N 3.31Å; E21-F23 PolarHBondContact O-N 3.01Å; F23-F27 WeakPolarHBondContact O-CB 3.27Å; F23-F27 PolarHBondContact O-N 3.07Å
24L97.8Very high95.1Very high89 Ų89101.9 Ų101.947%0.46652%0.521SS..Hα-helixtrans-72-38.4174.8-69.9168.7000111.4L20 E21 A22 F27 D28L20-L24 HydrophobicContact CG-CD1 4.23Å; L20-L24 WeakPolarHBondContact O-CG 3.27Å; L20-L24 PolarHBondContact O-N 3.12Å; E21-L24 PolarHBondContact O-N 3.1Å; A22-L24 VanDerWaalsContact C-N 3.34Å; A22-L24 PolarHBondContact O-N 2.99Å; L24-F27 PolarHBondContact O-N 3.29Å; L24-D28 WeakPolarHBondContact O-CB 3.01Å; L24-D28 PolarHBondContact O-N 2.77Å
25E97.8Very high95.8Very high131 Ų131104 Ų10461%0.61253%0.532SS*.Hα-helixtrans-61.4-46.4173-69.9-179.8159.400111.9E21 A22 D28 S29E21-E25 PolarHBondContact O-N 2.91Å; A22-E25 PolarHBondContact O-N 3.34Å; E25-D28 PolarHBondContact O-N 3.19Å; E25-S29 WeakPolarHBondContact O-CB 3.48Å; E25-S29 PolarHBondContact O-N 2.88Å
26D98.1Very high96.5Very high108 Ų108101 Ų10158%0.57852%0.519SS*.Hα-helixtrans-58.7-48.1174.7-77.1-22.7000110.8A22 S29 E30A22-D26 PolarHBondContact O-N 2.95Å; D26-S29 WeakPolarHBondContact O-CB 3.29Å; D26-S29 PolarHBondContact O-N 3.12Å; D26-S29 PolarHBondContact O-OG 3.27Å; D26-E30 PolarHBondContact O-N 3.32Å
27F98.3Very high96.9Very high108 Ų10897 Ų9747%0.47450%0.503SS..Hα-helixtrans-61.8-47179-178.5-97.5000112.7F23 L24 S29 E30 V31F23-F27 WeakPolarHBondContact O-CB 3.27Å; F23-F27 PolarHBondContact O-N 3.07Å; L24-F27 PolarHBondContact O-N 3.29Å; F27-S29 PolarHBondContact O-N 3.07Å; F27-E30 PolarHBondContact O-N 3.27Å; F27-E30 VanDerWaalsContact O-N 3.16Å; F27-V31 HydrophobicContact CD1-CG2 4.13Å; F27-V31 HydrophobicContact CE1-CG2 3.72Å; F27-V31 HydrophobicContact CE2-CG2 4.34Å; F27-V31 HydrophobicContact CZ-CG2 3.84Å; F27-V31 WeakPolarHBondContact O-CG2 3.34Å; F27-V31 PolarHBondContact O-N 3.34Å
28D98.3Very high97.3Very high82 Ų8298.7 Ų98.744%0.43951%0.507SS..Hα-helixtrans-60.9-35.1175.7-86.82.9000111.7L24 E25 K32L24-D28 WeakPolarHBondContact O-CB 3.01Å; L24-D28 PolarHBondContact O-N 2.77Å; E25-D28 PolarHBondContact O-N 3.19Å; D28-K32 WeakPolarHBondContact O-CB 3.39Å; D28-K32 VanDerWaalsContact O-CD 3.32Å; D28-K32 WeakPolarHBondContact O-CD 3.29Å; D28-K32 WeakPolarHBondContact O-CG 3.38Å; D28-K32 PolarHBondContact O-N 2.81Å
29S97.6Very high97.6Very high61 Ų61104.6 Ų104.643%0.42752%0.52SS..Hα-helixtrans-68.3-39.6175.386.50000112.2E25 D26 F27 T33E25-S29 WeakPolarHBondContact O-CB 3.48Å; E25-S29 PolarHBondContact O-N 2.88Å; D26-S29 WeakPolarHBondContact O-CB 3.29Å; D26-S29 PolarHBondContact O-N 3.12Å; D26-S29 PolarHBondContact O-OG 3.27Å; F27-S29 PolarHBondContact O-N 3.07Å; S29-T33 WeakPolarHBondContact O-CB 3.17Å; S29-T33 PolarHBondContact O-N 2.83Å; S29-T33 PolarHBondContact O-OG1 3.41Å
30E98.3Very high97.8Very high114 Ų114103.5 Ų103.553%0.53352%0.517SS..Hα-helixtrans-65.8-46.4175.8-169-172.1155.700110.8D26 F27 K32 T33 R34D26-E30 PolarHBondContact O-N 3.32Å; F27-E30 PolarHBondContact O-N 3.27Å; F27-E30 VanDerWaalsContact O-N 3.16Å; E30-K32 PolarHBondContact O-N 3.17Å; E30-T33 PolarHBondContact O-N 2.83Å; E30-R34 WeakPolarHBondContact O-CB 3.44Å; E30-R34 PolarHBondContact O-N 3.03Å
31V98.7Very high97.9Very high64 Ų64106.6 Ų106.639%0.38852%0.521SS..Hα-helixtrans-59.5-47.9177.4172.10000110.8F27 T33 R34 V35F27-V31 HydrophobicContact CD1-CG2 4.13Å; F27-V31 HydrophobicContact CE1-CG2 3.72Å; F27-V31 HydrophobicContact CE2-CG2 4.34Å; F27-V31 HydrophobicContact CZ-CG2 3.84Å; F27-V31 WeakPolarHBondContact O-CG2 3.34Å; F27-V31 PolarHBondContact O-N 3.34Å; V31-T33 VanDerWaalsContact C-N 3.33Å; V31-T33 PolarHBondContact O-N 3.07Å; V31-R34 PolarHBondContact O-N 3.38Å; V31-V35 HydrophobicContact CG1-CG2 4.37Å; V31-V35 WeakPolarHBondContact O-CB 3.47Å; V31-V35 VanDerWaalsContact O-CG2 3.31Å; V31-V35 WeakPolarHBondContact O-CG2 3.42Å; V31-V35 PolarHBondContact O-N 3.23Å
32K98.4Very high98.1Very high145 Ų145106.1 Ų106.163%0.6352%0.521SS*.Hα-helixtrans-58.2-44.8175.7-74.1163.7-170.3159.70111.8D28 E30 G36D28-K32 WeakPolarHBondContact O-CB 3.39Å; D28-K32 VanDerWaalsContact O-CD 3.32Å; D28-K32 WeakPolarHBondContact O-CD 3.29Å; D28-K32 WeakPolarHBondContact O-CG 3.38Å; D28-K32 PolarHBondContact O-N 2.81Å; E30-K32 PolarHBondContact O-N 3.17Å; K32-G36 PolarHBondContact O-N 3.24Å
33T98.4Very high98.3Very high83 Ų83107.6 Ų107.651%0.50952%0.523SS..Hα-helixtrans-61.8-46.1178.3-58.20000111.4S29 E30 V31 G36 Q37S29-T33 WeakPolarHBondContact O-CB 3.17Å; S29-T33 PolarHBondContact O-N 2.83Å; S29-T33 PolarHBondContact O-OG1 3.41Å; E30-T33 PolarHBondContact O-N 2.83Å; V31-T33 VanDerWaalsContact C-N 3.33Å; V31-T33 PolarHBondContact O-N 3.07Å; T33-G36 PolarHBondContact O-N 2.77Å; T33-Q37 WeakPolarHBondContact O-CG 3.19Å; T33-Q37 PolarHBondContact O-N 3.33Å
34R98.5Very high98.3Very high158 Ų158105.5 Ų105.560%0.59652%0.515SS*.Hα-helixtrans-67.6-41.3-178.7-168.3169.7-176.7156.4-1.4112.4E30 V31 G36 Q37 M38E30-R34 WeakPolarHBondContact O-CB 3.44Å; E30-R34 PolarHBondContact O-N 3.03Å; V31-R34 PolarHBondContact O-N 3.38Å; R34-G36 VanDerWaalsContact C-N 3.34Å; R34-Q37 PolarHBondContact O-N 3.2Å; R34-M38 WeakPolarHBondContact O-CG 3.21Å; R34-M38 PolarHBondContact O-N 3.41Å
35V98.6Very high98.4Very high90 Ų90106.6 Ų106.655%0.54552%0.521SS..Hα-helixtrans-63.3-41172.91710000111V31 M38 R39V31-V35 HydrophobicContact CG1-CG2 4.37Å; V31-V35 WeakPolarHBondContact O-CB 3.47Å; V31-V35 VanDerWaalsContact O-CG2 3.31Å; V31-V35 WeakPolarHBondContact O-CG2 3.42Å; V31-V35 PolarHBondContact O-N 3.23Å; V35-M38 PolarHBondContact O-N 3.34Å; V35-R39 PolarHBondContact O-N 3.29Å
36G98.4Very high98.4Very high39 Ų39105.1 Ų105.140%0.40252%0.517SS..Hα-helixtrans-56.9-52.5173.500000112.3K32 T33 R34 M38 R39 E40K32-G36 PolarHBondContact O-N 3.24Å; T33-G36 PolarHBondContact O-N 2.77Å; R34-G36 VanDerWaalsContact C-N 3.34Å; G36-M38 VanDerWaalsContact C-N 3.33Å; G36-M38 PolarHBondContact O-N 3.45Å; G36-R39 PolarHBondContact O-N 3.23Å; G36-E40 PolarHBondContact O-N 2.98Å
37Q98.3Very high98.4Very high92 Ų92105.5 Ų105.543%0.4351%0.513SS..Hα-helixtrans-59.8-39.1176.7-70.61766.300112.9T33 R34 E40 R41T33-Q37 WeakPolarHBondContact O-CG 3.19Å; T33-Q37 PolarHBondContact O-N 3.33Å; R34-Q37 PolarHBondContact O-N 3.2Å; Q37-E40 PolarHBondContact O-N 3.38Å; Q37-R41 VanDerWaalsContact O-CG 3.29Å; Q37-R41 WeakPolarHBondContact O-CG 3.34Å; Q37-R41 PolarHBondContact O-N 3.03Å
38M98.6Very high98.4Very high108 Ų108104.2 Ų104.253%0.53251%0.511SS..Hα-helixtrans-65.8-43.2176.8-73.7177.566.400111.8R34 V35 G36 R41 I42R34-M38 WeakPolarHBondContact O-CG 3.21Å; R34-M38 PolarHBondContact O-N 3.41Å; V35-M38 PolarHBondContact O-N 3.34Å; G36-M38 VanDerWaalsContact C-N 3.33Å; G36-M38 PolarHBondContact O-N 3.45Å; M38-R41 PolarHBondContact O-N 2.94Å; M38-I42 WeakPolarHBondContact O-CG1 3.33Å; M38-I42 PolarHBondContact O-N 3.47Å; M38-I42 VanDerWaalsContact O-N 3.07Å
39R98.4Very high98.4Very high172 Ų172103.5 Ų103.565%0.64951%0.51SS*.Hα-helixtrans-63.3-40.5174.8175.3177.4-93.8-85.16.8111.8V35 G36 I42 N43V35-R39 PolarHBondContact O-N 3.29Å; G36-R39 PolarHBondContact O-N 3.23Å; R39-I42 PolarHBondContact O-N 3.36Å; R39-N43 VanDerWaalsContact O-CG 3.27Å; R39-N43 PolarHBondContact O-N 3.49Å; R39-N43 PolarHBondContact O-ND2 3.16Å
40E98.5Very high98.4Very high136 Ų136105.2 Ų105.264%0.63651%0.514SS*.Hα-helixtrans-62.6-45.1176.2-174.9173.1-154.900111.9G36 Q37 I42 N43 Q44G36-E40 PolarHBondContact O-N 2.98Å; Q37-E40 PolarHBondContact O-N 3.38Å; E40-I42 VanDerWaalsContact C-N 3.34Å; E40-I42 PolarHBondContact O-N 2.88Å; E40-N43 PolarHBondContact O-N 2.99Å; E40-Q44 PolarHBondContact O-N 3.12Å
41R98.4Very high98.4Very high170 Ų170104 Ų10464%0.64251%0.512SS*.Hα-helixtrans-60.4-40.5175.2-72.4172.7-170.5179.54.6112.9Q37 M38 Q44 L45Q37-R41 VanDerWaalsContact O-CG 3.29Å; Q37-R41 WeakPolarHBondContact O-CG 3.34Å; Q37-R41 PolarHBondContact O-N 3.03Å; M38-R41 PolarHBondContact O-N 2.94Å; R41-Q44 PolarHBondContact O-N 3.28Å; R41-L45 WeakPolarHBondContact O-CB 3.42Å; R41-L45 PolarHBondContact O-N 3.39Å
42I98.5Very high98.4Very high100 Ų100103 Ų10351%0.51351%0.514SS..Hα-helixtrans-63.2-47.1175.2-69165.7000110.4M38 R39 E40 Q44 L45 L46M38-I42 WeakPolarHBondContact O-CG1 3.33Å; M38-I42 PolarHBondContact O-N 3.47Å; M38-I42 VanDerWaalsContact O-N 3.07Å; R39-I42 PolarHBondContact O-N 3.36Å; E40-I42 VanDerWaalsContact C-N 3.34Å; E40-I42 PolarHBondContact O-N 2.88Å; I42-Q44 VanDerWaalsContact C-N 3.28Å; I42-Q44 PolarHBondContact O-N 2.81Å; I42-L45 PolarHBondContact O-N 3.24Å; I42-L46 HydrophobicContact CG2-CD1 4.04Å; I42-L46 WeakPolarHBondContact O-CG 3.32Å; I42-L46 PolarHBondContact O-N 2.96Å
43N98.3Very high98.3Very high74 Ų74103.9 Ų103.940%0.39652%0.515SS..Hα-helixtrans-62-36.1177.2-70.6-17.6000112.4R39 E40 K47R39-N43 VanDerWaalsContact O-CG 3.27Å; R39-N43 PolarHBondContact O-N 3.49Å; R39-N43 PolarHBondContact O-ND2 3.16Å; E40-N43 PolarHBondContact O-N 2.99Å; N43-K47 WeakPolarHBondContact O-CG 3.44Å; N43-K47 PolarHBondContact O-N 3.31Å
44Q98.4Very high98.3Very high91 Ų91104 Ų10443%0.42551%0.512SS..Hα-helixtrans-69.1-47.1176.3-172.356.741.200111.1E40 R41 I42 L46 K47 D48E40-Q44 PolarHBondContact O-N 3.12Å; R41-Q44 PolarHBondContact O-N 3.28Å; I42-Q44 VanDerWaalsContact C-N 3.28Å; I42-Q44 PolarHBondContact O-N 2.81Å; Q44-L46 VanDerWaalsContact C-N 3.31Å; Q44-L46 PolarHBondContact O-N 3.27Å; Q44-K47 WeakPolarHBondContact O-CB 3.27Å; Q44-K47 PolarHBondContact O-N 2.95Å; Q44-K47 VanDerWaalsContact O-N 3.11Å; Q44-D48 PolarHBondContact NE2-OD1 3.48Å; Q44-D48 PolarHBondContact O-N 2.82Å
45L98.6Very high98.2Very high112 Ų112101.4 Ų101.459%0.58651%0.508SS*.Hα-helixtrans-58-41.5177.4-178.963.1000112.4R41 I42 D48 V49R41-L45 WeakPolarHBondContact O-CB 3.42Å; R41-L45 PolarHBondContact O-N 3.39Å; I42-L45 PolarHBondContact O-N 3.24Å; L45-D48 PolarHBondContact O-N 3.1Å; L45-V49 WeakPolarHBondContact O-CG2 3.39Å; L45-V49 PolarHBondContact O-N 3.44Å
46L98.4Very high98.1Very high100 Ų10099.3 Ų99.352%0.52450%0.5SS..Hα-helixtrans-61.5-44.7175.9-70.2166.6000111.6I42 Q44 D48 V49 D50I42-L46 HydrophobicContact CG2-CD1 4.04Å; I42-L46 WeakPolarHBondContact O-CG 3.32Å; I42-L46 PolarHBondContact O-N 2.96Å; Q44-L46 VanDerWaalsContact C-N 3.31Å; Q44-L46 PolarHBondContact O-N 3.27Å; L46-D48 VanDerWaalsContact C-N 3.34Å; L46-D48 PolarHBondContact O-N 3.43Å; L46-V49 PolarHBondContact O-N 2.69Å; L46-D50 PolarHBondContact O-N 2.94Å
47K98.4Very high97.9Very high116 Ų116101.4 Ų101.450%0.50450%0.502SS..Hα-helixtrans-62.2-40.5174.1-69.2170.4-177.4178.70112.3N43 Q44 V49 D50 N51N43-K47 WeakPolarHBondContact O-CG 3.44Å; N43-K47 PolarHBondContact O-N 3.31Å; Q44-K47 WeakPolarHBondContact O-CB 3.27Å; Q44-K47 PolarHBondContact O-N 2.95Å; Q44-K47 VanDerWaalsContact O-N 3.11Å; K47-V49 VanDerWaalsContact C-N 3.31Å; K47-V49 PolarHBondContact O-N 3.18Å; K47-D50 PolarHBondContact O-N 2.63Å; K47-N51 WeakPolarHBondContact O-CB 3.43Å; K47-N51 PolarHBondContact O-N 3.21Å; K47-N51 PolarHBondContact O-ND2 3.07Å
48D98.2Very high97.7Very high81 Ų81103.1 Ų103.143%0.43351%0.512SS..Hα-helixtrans-66-36.6-179.5-63.8-24.2000111.1Q44 L45 L46 G52Q44-D48 PolarHBondContact NE2-OD1 3.48Å; Q44-D48 PolarHBondContact O-N 2.82Å; L45-D48 PolarHBondContact O-N 3.1Å; L46-D48 VanDerWaalsContact C-N 3.34Å; L46-D48 PolarHBondContact O-N 3.43Å; D48-G52 PolarHBondContact O-N 2.71Å
49V98.4Very high97.6Very high68 Ų68105.8 Ų105.841%0.41252%0.521SS..Hα-helixtrans-63.9-52.4171171.20000111.2L45 L46 K47 N51 G52 Y53L45-V49 WeakPolarHBondContact O-CG2 3.39Å; L45-V49 PolarHBondContact O-N 3.44Å; L46-V49 PolarHBondContact O-N 2.69Å; K47-V49 VanDerWaalsContact C-N 3.31Å; K47-V49 PolarHBondContact O-N 3.18Å; V49-N51 VanDerWaalsContact C-N 3.32Å; V49-N51 PolarHBondContact O-N 2.67Å; V49-G52 PolarHBondContact O-N 2.81Å; V49-G52 VanDerWaalsContact O-N 3.12Å; V49-Y53 HydrophobicContact CG1-CD2 3.76Å; V49-Y53 HydrophobicContact CG1-CE2 3.64Å; V49-Y53 VanDerWaalsContact O-CD2 3.31Å; V49-Y53 WeakPolarHBondContact O-CD2 3.11Å; V49-Y53 PolarHBondContact O-N 3.43Å
50D98.3Very high97.3Very high96 Ų96100.7 Ų100.751%0.51351%0.506SS..Hα-helixtrans-57.3-45.5177.9-71.5-26.3000111.4L46 K47 G52 Y53 N54L46-D50 PolarHBondContact O-N 2.94Å; K47-D50 PolarHBondContact O-N 2.63Å; D50-G52 VanDerWaalsContact C-N 3.35Å; D50-G52 PolarHBondContact O-N 3.24Å; D50-Y53 PolarHBondContact O-N 3.21Å; D50-N54 VanDerWaalsContact O-CB 3.31Å; D50-N54 WeakPolarHBondContact O-CB 3.39Å; D50-N54 PolarHBondContact O-N 3.17Å; D50-N54 PolarHBondContact O-ND2 3.49Å
51N97.9Very high97.2Very high90 Ų9098.1 Ų98.148%0.48150%0.501SS..Hα-helixtrans-62.1-41.1176.6-71.5-28.7000111.7K47 V49 N54 M55K47-N51 WeakPolarHBondContact O-CB 3.43Å; K47-N51 PolarHBondContact O-N 3.21Å; K47-N51 PolarHBondContact O-ND2 3.07Å; V49-N51 VanDerWaalsContact C-N 3.32Å; V49-N51 PolarHBondContact O-N 2.67Å; N51-N54 PolarHBondContact O-N 3.29Å; N51-M55 VanDerWaalsContact O-CB 3.31Å; N51-M55 WeakPolarHBondContact O-CB 3.32Å; N51-M55 VanDerWaalsContact O-CG 3.25Å; N51-M55 WeakPolarHBondContact O-CG 3.18Å; N51-M55 PolarHBondContact O-N 2.75Å
52G97.9Very high96.9Very high42 Ų4298.5 Ų98.543%0.43350%0.503SS..Hα-helixtrans-59.3-50.1175.500000112.5D48 V49 D50 M55 A56D48-G52 PolarHBondContact O-N 2.71Å; V49-G52 PolarHBondContact O-N 2.81Å; V49-G52 VanDerWaalsContact O-N 3.12Å; D50-G52 VanDerWaalsContact C-N 3.35Å; D50-G52 PolarHBondContact O-N 3.24Å; G52-M55 PolarHBondContact O-N 3.22Å; G52-A56 WeakPolarHBondContact O-CB 3.38Å; G52-A56 PolarHBondContact O-N 3.42Å
53Y97.6Very high96.6Very high164 Ų16497.3 Ų97.364%0.64351%0.508SS*.Hα-helixtrans-64-44.8176.1-78.7-69000112.3V49 D50 M55 A56 L57V49-Y53 HydrophobicContact CG1-CD2 3.76Å; V49-Y53 HydrophobicContact CG1-CE2 3.64Å; V49-Y53 VanDerWaalsContact O-CD2 3.31Å; V49-Y53 WeakPolarHBondContact O-CD2 3.11Å; V49-Y53 PolarHBondContact O-N 3.43Å; D50-Y53 PolarHBondContact O-N 3.21Å; Y53-M55 VanDerWaalsContact C-N 3.35Å; Y53-M55 PolarHBondContact O-N 2.98Å; Y53-A56 PolarHBondContact O-N 2.94Å; Y53-L57 WeakPolarHBondContact O-CB 3.27Å; Y53-L57 WeakPolarHBondContact O-CG 3.41Å; Y53-L57 PolarHBondContact O-N 3.48Å
54N97.6Very high96.3Very high85 Ų8595.9 Ų95.946%0.45550%0.502SS..Hα-helixtrans-59.8-44.3177.3-75.4-39.7000111.7D50 N51 L57 I58D50-N54 VanDerWaalsContact O-CB 3.31Å; D50-N54 WeakPolarHBondContact O-CB 3.39Å; D50-N54 PolarHBondContact O-N 3.17Å; D50-N54 PolarHBondContact O-ND2 3.49Å; N51-N54 PolarHBondContact O-N 3.29Å; N54-L57 PolarHBondContact O-N 3.12Å; N54-I58 WeakPolarHBondContact O-CB 3.3Å; N54-I58 WeakPolarHBondContact O-CD1 3.42Å; N54-I58 VanDerWaalsContact O-CG1 3.25Å; N54-I58 WeakPolarHBondContact O-CG1 3.29Å; N54-I58 PolarHBondContact O-N 2.93Å
55M96.9Very high96.1Very high103 Ų10397.7 Ų97.751%0.50751%0.505SS..Hα-helixtrans-64.7-38.9176.1-75.3-62.5-63.900112.5N51 G52 Y53 K59N51-M55 VanDerWaalsContact O-CB 3.31Å; N51-M55 WeakPolarHBondContact O-CB 3.32Å; N51-M55 VanDerWaalsContact O-CG 3.25Å; N51-M55 WeakPolarHBondContact O-CG 3.18Å; N51-M55 PolarHBondContact O-N 2.75Å; G52-M55 PolarHBondContact O-N 3.22Å; Y53-M55 VanDerWaalsContact C-N 3.35Å; Y53-M55 PolarHBondContact O-N 2.98Å; M55-K59 VanDerWaalsContact O-CG 3.26Å; M55-K59 WeakPolarHBondContact O-CG 3.35Å; M55-K59 PolarHBondContact O-N 2.97Å; M55-K59 VanDerWaalsContact O-N 3.1Å
56A95Very high95.8Very high47 Ų4798.9 Ų98.939%0.38851%0.507SS..Hα-helixtrans-63.7-45.5173.900000111.6G52 Y53 I58 K59 L60G52-A56 WeakPolarHBondContact O-CB 3.38Å; G52-A56 PolarHBondContact O-N 3.42Å; Y53-A56 PolarHBondContact O-N 2.94Å; A56-I58 PolarHBondContact O-N 3.03Å; A56-K59 PolarHBondContact O-N 3.16Å; A56-L60 WeakPolarHBondContact O-CG 3.39Å; A56-L60 PolarHBondContact O-N 2.92Å; A56-L60 VanDerWaalsContact O-N 3.14Å
57L94.8Very high95.3Very high83 Ų8398.2 Ų98.244%0.43550%0.503SS..Hα-helixtrans-64.3-36.9177.9-71.3171.7000113Y53 N54 L60 R65Y53-L57 WeakPolarHBondContact O-CB 3.27Å; Y53-L57 WeakPolarHBondContact O-CG 3.41Å; Y53-L57 PolarHBondContact O-N 3.48Å; N54-L57 PolarHBondContact O-N 3.12Å; L57-L60 PolarHBondContact O-N 3.11Å; L57-R65 VanDerWaalsContact O-CD 3.25Å; L57-R65 WeakPolarHBondContact O-CD 3.45Å; L57-R65 PolarHBondContact O-NE 3Å
58I94.8Very high95Very high127 Ų12796.5 Ų96.565%0.65150%0.499SS*.Hα-helixtrans-68.4-39.2176.1-69.9164.1000111N54 A56 L60N54-I58 WeakPolarHBondContact O-CB 3.3Å; N54-I58 WeakPolarHBondContact O-CD1 3.42Å; N54-I58 VanDerWaalsContact O-CG1 3.25Å; N54-I58 WeakPolarHBondContact O-CG1 3.29Å; N54-I58 PolarHBondContact O-N 2.93Å; A56-I58 PolarHBondContact O-N 3.03Å; I58-L60 VanDerWaalsContact C-N 3.27Å; I58-L60 PolarHBondContact O-N 2.85Å
59K95.6Very high94.5Very high164 Ų164101 Ų10171%0.71351%0.51SS*.Hα-helixtrans-65.6-27.5175.6-73.7172.2-179.7-176.60113.1M55 A56M55-K59 VanDerWaalsContact O-CG 3.26Å; M55-K59 WeakPolarHBondContact O-CG 3.35Å; M55-K59 PolarHBondContact O-N 2.97Å; M55-K59 VanDerWaalsContact O-N 3.1Å; A56-K59 PolarHBondContact O-N 3.16Å
60L93.5Very high94Very high66 Ų66102.5 Ų102.535%0.34652%0.515SS..SBendtrans-79.6125.3-178.2-72.8169.6000112.4A56 L57 I58 V64 R65A56-L60 WeakPolarHBondContact O-CG 3.39Å; A56-L60 PolarHBondContact O-N 2.92Å; A56-L60 VanDerWaalsContact O-N 3.14Å; L57-L60 PolarHBondContact O-N 3.11Å; I58-L60 VanDerWaalsContact C-N 3.27Å; I58-L60 PolarHBondContact O-N 2.85Å; L60-V64 HydrophobicContact CD2-CG1 4.09Å; L60-R65 HydrophobicContact CB-CG 3.71Å; L60-R65 HydrophobicContact CD1-CG 4.43Å; L60-R65 PolarHBondContact O-NE 2.95Å; L60-R65 PolarHBondContact O-NH2 3.38Å
61P95.7Very high93.5Very high81 Ų81104.4 Ų104.453%0.52652%0.521SS..  trans-55.1147.1173.4-25.434.5000112.2A63 V64 R65P61-A63 VanDerWaalsContact C-N 3.27Å; P61-A63 PolarHBondContact O-N 3.13Å; P61-V64 HydrophobicContact CB-CG2 4.24Å; P61-V64 HydrophobicContact CG-CG2 4.34Å; P61-V64 PolarHBondContact O-N 2.89Å; P61-R65 PolarHBondContact O-N 2.9Å; P61-R65 VanDerWaalsContact O-N 3.08Å
62R92.5Very high92.8Very high178 Ų178104.3 Ų104.367%0.67252%0.52SS*.Hα-helixtrans-56.5-39.2-176.3-174.1-180177.8-1772.9112.9V64 R65 Q66R62-V64 PolarHBondContact O-N 2.83Å; R62-R65 PolarHBondContact O-N 2.94Å; R62-Q66 WeakPolarHBondContact O-CG 3.37Å; R62-Q66 PolarHBondContact O-N 2.64Å; R62-Q66 VanDerWaalsContact O-N 3.13Å
63A92.6Very high92Very high76 Ų76107.1 Ų107.163%0.62853%0.532SS*.Hα-helixtrans-60.2-43.5176.700000112.2P61 Q66 M67P61-A63 VanDerWaalsContact C-N 3.27Å; P61-A63 PolarHBondContact O-N 3.13Å; A63-Q66 PolarHBondContact O-N 3.12Å; A63-M67 PolarHBondContact O-N 2.84Å
64V91.9Very high91Very high43 Ų43101.2 Ų101.226%0.26152%0.521SS..Hα-helixtrans-65.8-40.5177.7-178.20000111L60 P61 R62 Q66 M67 L72L60-V64 HydrophobicContact CD2-CG1 4.09Å; P61-V64 HydrophobicContact CB-CG2 4.24Å; P61-V64 HydrophobicContact CG-CG2 4.34Å; P61-V64 PolarHBondContact O-N 2.89Å; R62-V64 PolarHBondContact O-N 2.83Å; V64-Q66 PolarHBondContact O-N 3.2Å; V64-M67 WeakPolarHBondContact O-CB 3.13Å; V64-M67 PolarHBondContact O-N 2.8Å; V64-L72 HydrophobicContact CG1-CD1 3.71Å; V64-L72 HydrophobicContact CG1-CD2 3.72Å; V64-L72 HydrophobicContact CG1-CG 4.38Å
65R92.6Very high89.3Confident130 Ų130101.4 Ų101.449%0.49152%0.522SS..Hα-helixtrans-67.4-16.8175.8-74.1-169.9-81.9150-10.9114.9L57 L60 P61 R62L57-R65 VanDerWaalsContact O-CD 3.25Å; L57-R65 WeakPolarHBondContact O-CD 3.45Å; L57-R65 PolarHBondContact O-NE 3Å; L60-R65 HydrophobicContact CB-CG 3.71Å; L60-R65 HydrophobicContact CD1-CG 4.43Å; L60-R65 PolarHBondContact O-NE 2.95Å; L60-R65 PolarHBondContact O-NH2 3.38Å; P61-R65 PolarHBondContact O-N 2.9Å; P61-R65 VanDerWaalsContact O-N 3.08Å; R62-R65 PolarHBondContact O-N 2.94Å
66Q92.5Very high87.4Confident137 Ų137101.5 Ų101.564%0.6453%0.53SS*.Hα-helixtrans-99-6.9177.3-70.5178.8-50.600112.9R62 A63 V64R62-Q66 WeakPolarHBondContact O-CG 3.37Å; R62-Q66 PolarHBondContact O-N 2.64Å; R62-Q66 VanDerWaalsContact O-N 3.13Å; A63-Q66 PolarHBondContact O-N 3.12Å; V64-Q66 PolarHBondContact O-N 3.2Å
67M89.4Confident85.6Confident86 Ų86106.2 Ų106.242%0.42455%0.549SS..SBendtrans-75.5157.3176.8-163.1167.274.200111.1A63 V64 W69 L72A63-M67 PolarHBondContact O-N 2.84Å; V64-M67 WeakPolarHBondContact O-CB 3.13Å; V64-M67 PolarHBondContact O-N 2.8Å; M67-W69 PolarHBondContact O-N 3.16Å; M67-L72 HydrophobicContact CE-CB 3.67Å; M67-L72 HydrophobicContact CE-CD1 3.81Å; M67-L72 HydrophobicContact CE-CG 4.3Å
68N91Very high83.8Confident79 Ų79109.1 Ų109.142%0.42256%0.558SS.*  trans-63.6125.5173.1-174.3-34.6000109.7L70 Q71 L72N68-L70 VanDerWaalsContact C-N 3.25Å; N68-L70 PolarHBondContact O-N 2.95Å; N68-L70 WeakPolarHBondContact OD1-CB 3.43Å; N68-L70 PolarHBondContact OD1-N 3.24Å; N68-Q71 HydrophobicContact CB-CB 4.44Å; N68-Q71 HydrophobicContact CB-CG 4.13Å; N68-Q71 WeakPolarHBondContact O-CB 3.4Å; N68-Q71 PolarHBondContact O-N 3.22Å; N68-L72 PolarHBondContact O-N 3.46Å
69W88.4Confident81.7Confident175 Ų175106.5 Ų106.566%0.66355%0.551SS**Hα-helixtrans-60.9-32-175.474.2-89.3000113.3M67 Q71 L72 C73M67-W69 PolarHBondContact O-N 3.16Å; W69-Q71 VanDerWaalsContact C-N 3.32Å; W69-Q71 PolarHBondContact O-N 2.69Å; W69-L72 PolarHBondContact O-N 3.42Å; W69-C73 PolarHBondContact O-N 3Å; W69-C73 PolarHBondContact O-SG 3.44Å
70L88.4Confident79.4Confident101 Ų101105 Ų10553%0.52955%0.551SS.*Hα-helixtrans-63.9-38.7175.4-69.5167.2000111.5N68 L72 C73 G74N68-L70 VanDerWaalsContact C-N 3.25Å; N68-L70 PolarHBondContact O-N 2.95Å; N68-L70 WeakPolarHBondContact OD1-CB 3.43Å; N68-L70 PolarHBondContact OD1-N 3.24Å; L70-L72 VanDerWaalsContact C-N 3.32Å; L70-C73 PolarHBondContact O-N 3.12Å; L70-G74 PolarHBondContact O-N 3.3Å
71Q86.6Confident77.1Confident135 Ų135105.9 Ų105.963%0.63157%0.568SS**Hα-helixtrans-70.8-30176.5-64.8173.7-14.900111.7N68 W69N68-Q71 HydrophobicContact CB-CB 4.44Å; N68-Q71 HydrophobicContact CB-CG 4.13Å; N68-Q71 WeakPolarHBondContact O-CB 3.4Å; N68-Q71 PolarHBondContact O-N 3.22Å; W69-Q71 VanDerWaalsContact C-N 3.32Å; W69-Q71 PolarHBondContact O-N 2.69Å
72L83Confident74.9Confident89 Ų89104.7 Ų104.747%0.46657%0.565SS.*Hα-helixtrans-73.7-35.7176.3-178.258.7000112.6V64 M67 N68 W69 L70 G74V64-L72 HydrophobicContact CG1-CD1 3.71Å; V64-L72 HydrophobicContact CG1-CD2 3.72Å; V64-L72 HydrophobicContact CG1-CG 4.38Å; M67-L72 HydrophobicContact CE-CB 3.67Å; M67-L72 HydrophobicContact CE-CD1 3.81Å; M67-L72 HydrophobicContact CE-CG 4.3Å; N68-L72 PolarHBondContact O-N 3.46Å; W69-L72 PolarHBondContact O-N 3.42Å; L70-L72 VanDerWaalsContact C-N 3.32Å; L72-G74 PolarHBondContact O-N 2.97Å
73C81.8Confident72.8Confident100 Ų100102.4 Ų102.468%0.67656%0.562SS**Hα-helixtrans-74.1-12.5175.4-69.50000113.7W69 L70W69-C73 PolarHBondContact O-N 3Å; W69-C73 PolarHBondContact O-SG 3.44Å; L70-C73 PolarHBondContact O-N 3.12Å
74G76Confident70.8Confident40 Ų40103.7 Ų103.741%0.41256%0.561SS.*  trans80.9157.2-177.400000113.3L70 L72L70-G74 PolarHBondContact O-N 3.3Å; L72-G74 PolarHBondContact O-N 2.97Å
75D62.5Low68.8Low89 Ų89105.8 Ų105.848%0.47657%0.571SS.*  trans-61133.1173.2-55.9-47.7000109.5D77 K78D75-D77 PolarHBondContact O-N 3.23Å; D75-K78 HydrophobicContact CB-CD 4.43Å; D75-K78 PolarHBondContact O-N 3.38Å; D75-K78 IonicContact OD2-NZ 2.71Å; D75-K78 PolarHBondContact OD2-NZ 3.32Å
76P57.7Low66.9Low105 Ų105104.1 Ų104.168%0.68257%0.572SS**G310 helixtrans-58.9-25.6-178.923.7-33.7000113K78 S79P76-K78 VanDerWaalsContact C-N 3.27Å; P76-K78 PolarHBondContact O-N 2.91Å; P76-S79 PolarHBondContact O-OG 3.29Å
77D57Low65.1Low147 Ų147100.7 Ų100.779%0.78656%0.56SS**G310 helixtrans-76-3.6-179.8-56.2-44000114.6D75D75-D77 PolarHBondContact O-N 3.23Å
78K55.9Low63.5Low144 Ų144102.6 Ų102.663%0.62657%0.566SS**G310 helixtrans-115.410.3-179.7-67174.7-172.31490114.1D75 P76 N80 A81D75-K78 HydrophobicContact CB-CD 4.43Å; D75-K78 PolarHBondContact O-N 3.38Å; D75-K78 IonicContact OD2-NZ 2.71Å; D75-K78 PolarHBondContact OD2-NZ 3.32Å; P76-K78 VanDerWaalsContact C-N 3.27Å; P76-K78 PolarHBondContact O-N 2.91Å; K78-N80 PolarHBondContact O-N 3.29Å; K78-A81 PolarHBondContact O-N 2.97Å
79S51.9Low61.8Low72 Ų72105.1 Ų105.150%0.50357%0.57SS.*G310 helixtrans-64.9-16.7-176.649.40000115P76 A81 A82P76-S79 PolarHBondContact O-OG 3.29Å; S79-A81 PolarHBondContact O-N 2.98Å; S79-A82 PolarHBondContact O-N 2.91Å
80N46.4Very low60.1Low132 Ų132106.4 Ų106.471%0.70657%0.574SS**G310 helixtrans-63.7-7177.6-61.5-13.5000114.8K78K78-N80 PolarHBondContact O-N 3.29Å
81A45.8Very low58.6Low85 Ų85107 Ų10770%0.70257%0.574SS**G310 helixtrans-90.7-18.5172.100000113.8K78 S79K78-A81 PolarHBondContact O-N 2.97Å; S79-A81 PolarHBondContact O-N 2.98Å
82A48.7Very low57Low56 Ų56106.6 Ų106.646%0.46357%0.573SS.*THydrogen-bonded Turntrans-87.5-23.6-177.100000113.3S79 V84 D85 D86S79-A82 PolarHBondContact O-N 2.91Å; A82-V84 PolarHBondContact O-N 3.44Å; A82-V84 VanDerWaalsContact O-N 3.12Å; A82-D85 PolarHBondContact O-N 2.91Å; A82-D86 PolarHBondContact O-N 3.48Å
83E49.2Very low55.8Low130 Ų130104.9 Ų104.961%0.60757%0.571SS**Hα-helixtrans-54.8-33.3-178.5-170.9172.2-166.100112.9D85 V87E83-D85 VanDerWaalsContact C-N 3.3Å; E83-D85 PolarHBondContact O-N 3.22Å; E83-V87 HydrophobicContact CG-CG2 4.27Å; E83-V87 WeakPolarHBondContact O-CB 3.31Å; E83-V87 WeakPolarHBondContact O-CG2 3.45Å; E83-V87 PolarHBondContact O-N 2.97Å
84V50.3Low54.7Low103 Ų103102.8 Ų102.862%0.62456%0.561SS**Hα-helixtrans-65.7-29.4-179.7-173.10000113.1A82A82-V84 PolarHBondContact O-N 3.44Å; A82-V84 VanDerWaalsContact O-N 3.12Å
85D49.3Very low54.2Low86 Ų86105.9 Ų105.946%0.4657%0.567SS.*Hα-helixtrans-89.2-36.4-177.9-164.857.2000112A82 E83 K88 R89A82-D85 PolarHBondContact O-N 2.91Å; E83-D85 VanDerWaalsContact C-N 3.3Å; E83-D85 PolarHBondContact O-N 3.22Å; D85-K88 PolarHBondContact O-N 3.03Å; D85-R89 WeakPolarHBondContact O-CB 3.41Å; D85-R89 PolarHBondContact O-N 3.08Å; D85-R89 IonicContact OD2-CZ 2.78Å; D85-R89 IonicContact OD2-NH1 2.75Å; D85-R89 PolarHBondContact OD2-NH1 3.19Å; D85-R89 IonicContact OD2-NH2 3.08Å; D85-R89 PolarHBondContact OD2-NH2 2.87Å
86D53.7Low53.9Low95 Ų95107.4 Ų107.451%0.50858%0.575SS.*Hα-helixtrans-72.4-31.5172.9-81.1-39.9000112.9A82 R89 R90A82-D86 PolarHBondContact O-N 3.48Å; D86-R89 PolarHBondContact O-N 3.38Å; D86-R89 IonicContact OD1-CZ 2.67Å; D86-R89 IonicContact OD1-NH1 3.07Å; D86-R89 PolarHBondContact OD1-NH1 3.37Å; D86-R90 WeakPolarHBondContact O-CB 3.41Å; D86-R90 PolarHBondContact O-N 3.27Å
87V55.1Low54Low66 Ų66109.4 Ų109.440%0.458%0.575SS.*Hα-helixtrans-60.9-49.1169.9167.50000110.5E83 R89 R90 E91E83-V87 HydrophobicContact CG-CG2 4.27Å; E83-V87 WeakPolarHBondContact O-CB 3.31Å; E83-V87 WeakPolarHBondContact O-CG2 3.45Å; E83-V87 PolarHBondContact O-N 2.97Å; V87-R89 PolarHBondContact O-N 3.48Å; V87-R90 PolarHBondContact O-N 3.23Å; V87-R90 VanDerWaalsContact O-N 3.16Å; V87-E91 HydrophobicContact CG1-CG 4.36Å; V87-E91 WeakPolarHBondContact O-CG 3.33Å; V87-E91 PolarHBondContact O-N 2.85Å
88K54.9Low54.1Low125 Ų125105.2 Ų105.254%0.54356%0.557SS.*Hα-helixtrans-57.5-48.1175.7-89.4-176.4171.1-178.40113.1D85 R90 E91 E92D85-K88 PolarHBondContact O-N 3.03Å; K88-R90 PolarHBondContact O-N 3Å; K88-E91 PolarHBondContact O-N 2.98Å; K88-E92 WeakPolarHBondContact O-CG 3.06Å; K88-E92 PolarHBondContact O-N 3.28Å
89R55.1Low54.1Low132 Ų132101.9 Ų101.950%0.49855%0.549SS..Hα-helixtrans-62.3-30.6179.4-169.3177.5-67.1114.69.2112.3D85 D86 V87 A93D85-R89 WeakPolarHBondContact O-CB 3.41Å; D85-R89 PolarHBondContact O-N 3.08Å; D85-R89 IonicContact OD2-CZ 2.78Å; D85-R89 IonicContact OD2-NH1 2.75Å; D85-R89 PolarHBondContact OD2-NH1 3.19Å; D85-R89 IonicContact OD2-NH2 3.08Å; D85-R89 PolarHBondContact OD2-NH2 2.87Å; D86-R89 PolarHBondContact O-N 3.38Å; D86-R89 IonicContact OD1-CZ 2.67Å; D86-R89 IonicContact OD1-NH1 3.07Å; D86-R89 PolarHBondContact OD1-NH1 3.37Å; V87-R89 PolarHBondContact O-N 3.48Å; R89-A93 WeakPolarHBondContact O-CB 3.37Å; R89-A93 PolarHBondContact O-N 3.38Å
90R53.1Low54.4Low202 Ų202102 Ų10276%0.76255%0.546SS*.Hα-helixtrans-81-34.5177.2-157.3177.5-156.5-176.56.9112.8D86 V87 K88 A93 A94D86-R90 WeakPolarHBondContact O-CB 3.41Å; D86-R90 PolarHBondContact O-N 3.27Å; V87-R90 PolarHBondContact O-N 3.23Å; V87-R90 VanDerWaalsContact O-N 3.16Å; K88-R90 PolarHBondContact O-N 3Å; R90-A93 PolarHBondContact O-N 3.42Å; R90-A94 WeakPolarHBondContact O-CB 3.45Å; R90-A94 PolarHBondContact O-N 3.07Å
91E56.6Low55.1Low113 Ų11398.4 Ų98.453%0.52854%0.535SS..Hα-helixtrans-63.7-47169.8-73.7174.6170.300111V87 K88 A93 A94 I95V87-E91 HydrophobicContact CG1-CG 4.36Å; V87-E91 WeakPolarHBondContact O-CG 3.33Å; V87-E91 PolarHBondContact O-N 2.85Å; K88-E91 PolarHBondContact O-N 2.98Å; E91-A93 VanDerWaalsContact C-N 3.34Å; E91-A93 PolarHBondContact O-N 3.39Å; E91-A94 PolarHBondContact O-N 3.39Å; E91-I95 WeakPolarHBondContact O-CD1 3.49Å; E91-I95 VanDerWaalsContact O-CG1 3.28Å; E91-I95 WeakPolarHBondContact O-CG1 3.39Å; E91-I95 PolarHBondContact O-N 3.14Å
92E54.1Low55.5Low128 Ų128100.8 Ų100.860%0.59853%0.531SS*.Hα-helixtrans-59.4-41.8175-73176.5-176.900112.2K88 I95 L96K88-E92 WeakPolarHBondContact O-CG 3.06Å; K88-E92 PolarHBondContact O-N 3.28Å; E92-I95 PolarHBondContact O-N 3.33Å; E92-L96 WeakPolarHBondContact O-CG 3.38Å; E92-L96 PolarHBondContact O-N 3.43Å; E92-L96 VanDerWaalsContact O-N 3.14Å
93A56.4Low55.6Low53 Ų53103 Ų10344%0.43854%0.536SS..Hα-helixtrans-64.6-41174.800000112.8R89 R90 E91 L96 E97R89-A93 WeakPolarHBondContact O-CB 3.37Å; R89-A93 PolarHBondContact O-N 3.38Å; R90-A93 PolarHBondContact O-N 3.42Å; E91-A93 VanDerWaalsContact C-N 3.34Å; E91-A93 PolarHBondContact O-N 3.39Å; A93-L96 PolarHBondContact O-N 2.86Å; A93-E97 PolarHBondContact O-N 3.23Å
94A60.1Low55.8Low56 Ų56102.1 Ų102.146%0.46353%0.531SS..Hα-helixtrans-67.7-34.3178.200000112.8R90 E91 E97 S98R90-A94 WeakPolarHBondContact O-CB 3.45Å; R90-A94 PolarHBondContact O-N 3.07Å; E91-A94 PolarHBondContact O-N 3.39Å; A94-E97 PolarHBondContact O-N 3.39Å; A94-S98 PolarHBondContact O-N 2.98Å; A94-S98 PolarHBondContact O-OG 3.44Å
95I65Low56.1Low105 Ų10599 Ų9954%0.53852%0.516SS..Hα-helixtrans-67.5-39.7174.1-67.2161.6000110.8E91 E92 S98 V99E91-I95 WeakPolarHBondContact O-CD1 3.49Å; E91-I95 VanDerWaalsContact O-CG1 3.28Å; E91-I95 WeakPolarHBondContact O-CG1 3.39Å; E91-I95 PolarHBondContact O-N 3.14Å; E92-I95 PolarHBondContact O-N 3.33Å; I95-S98 PolarHBondContact O-N 2.8Å; I95-S98 PolarHBondContact O-OG 3.15Å; I95-V99 WeakPolarHBondContact O-CG2 3.34Å; I95-V99 PolarHBondContact O-N 2.97Å; I95-V99 VanDerWaalsContact O-N 3.14Å
96L54.7Low56.2Low121 Ų12199.6 Ų99.663%0.63452%0.523SS*.Hα-helixtrans-66.9-39174.8-71.1170.1000111.9E92 A93 V100E92-L96 WeakPolarHBondContact O-CG 3.38Å; E92-L96 PolarHBondContact O-N 3.43Å; E92-L96 VanDerWaalsContact O-N 3.14Å; A93-L96 PolarHBondContact O-N 2.86Å; L96-V100 WeakPolarHBondContact O-CB 3.29Å; L96-V100 VanDerWaalsContact O-CG2 3.28Å; L96-V100 WeakPolarHBondContact O-CG2 3.31Å; L96-V100 PolarHBondContact O-N 2.94Å; L96-V100 VanDerWaalsContact O-N 3.1Å
97E59.9Low56Low147 Ų147100.4 Ų100.469%0.68753%0.526SS*.Hα-helixtrans-68-35.9176.8-169.1167-173.400112.5A93 A94 A101A93-E97 PolarHBondContact O-N 3.23Å; A94-E97 PolarHBondContact O-N 3.39Å; E97-A101 WeakPolarHBondContact O-CB 3.35Å; E97-A101 PolarHBondContact O-N 3.34Å
98S59.4Low55.6Low59 Ų59103.7 Ų103.741%0.41354%0.541SS..Hα-helixtrans-69-41.7175.969.10000112.9A94 I95 V100 A101 E102A94-S98 PolarHBondContact O-N 2.98Å; A94-S98 PolarHBondContact O-OG 3.44Å; I95-S98 PolarHBondContact O-N 2.8Å; I95-S98 PolarHBondContact O-OG 3.15Å; S98-V100 PolarHBondContact O-N 3.48Å; S98-A101 PolarHBondContact O-N 3.48Å; S98-E102 PolarHBondContact O-N 3.24Å
99V57.5Low55.2Low73 Ų73105.7 Ų105.744%0.44255%0.55SS..Hα-helixtrans-61.3-44.9174.7170.90000111I95 A101 E102 D103I95-V99 WeakPolarHBondContact O-CG2 3.34Å; I95-V99 PolarHBondContact O-N 2.97Å; I95-V99 VanDerWaalsContact O-N 3.14Å; V99-A101 VanDerWaalsContact C-N 3.33Å; V99-A101 PolarHBondContact O-N 3.14Å; V99-E102 PolarHBondContact O-N 3.42Å; V99-D103 PolarHBondContact O-N 3.03Å
100V58.1Low54.7Low75 Ų75103.5 Ų103.546%0.45556%0.555SS.*Hα-helixtrans-63.2-39.1175.7169.50000111.5L96 S98 H104L96-V100 WeakPolarHBondContact O-CB 3.29Å; L96-V100 VanDerWaalsContact O-CG2 3.28Å; L96-V100 WeakPolarHBondContact O-CG2 3.31Å; L96-V100 PolarHBondContact O-N 2.94Å; L96-V100 VanDerWaalsContact O-N 3.1Å; S98-V100 PolarHBondContact O-N 3.48Å; V100-H104 PolarHBondContact O-CD2 2.95Å; V100-H104 PolarHBondContact O-N 3.4Å; V100-H104 VanDerWaalsContact O-N 3.1Å
101A59.7Low54.1Low56 Ų5699.7 Ų99.746%0.46355%0.554SS.*Hα-helixtrans-66.5-37.4175.900000112.9E97 S98 V99 A105E97-A101 WeakPolarHBondContact O-CB 3.35Å; E97-A101 PolarHBondContact O-N 3.34Å; S98-A101 PolarHBondContact O-N 3.48Å; V99-A101 VanDerWaalsContact C-N 3.33Å; V99-A101 PolarHBondContact O-N 3.14Å; A101-A105 WeakPolarHBondContact O-CB 3.48Å; A101-A105 PolarHBondContact O-N 2.98Å
102E54.7Low53.2Low135 Ų135103.5 Ų103.563%0.63157%0.569SS**Hα-helixtrans-67.8-42.6175.3-75.6-167.912000112.3S98 V99 H104 A105 V106S98-E102 PolarHBondContact O-N 3.24Å; V99-E102 PolarHBondContact O-N 3.42Å; E102-H104 VanDerWaalsContact C-N 3.35Å; E102-H104 PolarHBondContact O-N 2.96Å; E102-A105 CarbonylContact O-C 3.58Å; E102-A105 WeakPolarHBondContact O-CA 3.36Å; E102-A105 WeakPolarHBondContact O-CB 3.35Å; E102-A105 PolarHBondContact O-N 3.47Å; E102-V106 WeakPolarHBondContact O-CG2 3.26Å; E102-V106 PolarHBondContact O-N 2.69Å
103D50.7Low52.6Low104 Ų104106.7 Ų106.756%0.55658%0.58SS**Hα-helixtrans-60.7-42.2174.8-85.1-20.1000112.1V99 A105 V106 L107V99-D103 PolarHBondContact O-N 3.03Å; D103-A105 VanDerWaalsContact C-N 3.33Å; D103-A105 PolarHBondContact O-N 3.3Å; D103-V106 PolarHBondContact O-N 2.67Å; D103-L107 PolarHBondContact O-N 3.38Å
104H54.1Low51.6Low111 Ų111111 Ų11151%0.51460%0.602SS.*Hα-helixtrans-64.8-35172.8-70.8-44.9000112.6V100 E102 L108V100-H104 PolarHBondContact O-CD2 2.95Å; V100-H104 PolarHBondContact O-N 3.4Å; V100-H104 VanDerWaalsContact O-N 3.1Å; E102-H104 VanDerWaalsContact C-N 3.35Å; E102-H104 PolarHBondContact O-N 2.96Å; H104-L108 WeakPolarHBondContact O-CG 3.21Å; H104-L108 PolarHBondContact O-N 2.86Å; H104-L108 VanDerWaalsContact O-N 3.13Å
105A55.4Low50.3Low38 Ų38115 Ų11531%0.31462%0.621SS.*Hα-helixtrans-71.1-32.5175.800000113.1A101 E102 D103 K109A101-A105 WeakPolarHBondContact O-CB 3.48Å; A101-A105 PolarHBondContact O-N 2.98Å; E102-A105 CarbonylContact O-C 3.58Å; E102-A105 WeakPolarHBondContact O-CA 3.36Å; E102-A105 WeakPolarHBondContact O-CB 3.35Å; E102-A105 PolarHBondContact O-N 3.47Å; D103-A105 VanDerWaalsContact C-N 3.33Å; D103-A105 PolarHBondContact O-N 3.3Å; A105-K109 WeakPolarHBondContact O-CG 3.35Å; A105-K109 PolarHBondContact O-N 3.06Å
106V52.6Low48.7Very low98 Ų98121.8 Ų121.859%0.59464%0.639SS**Hα-helixtrans-69.9-43173.4172.80000110.7E102 D103 L108 K109 S110E102-V106 WeakPolarHBondContact O-CG2 3.26Å; E102-V106 PolarHBondContact O-N 2.69Å; D103-V106 PolarHBondContact O-N 2.67Å; V106-L108 VanDerWaalsContact C-N 3.31Å; V106-L108 PolarHBondContact O-N 3.11Å; V106-K109 PolarHBondContact O-N 3.36Å; V106-S110 PolarHBondContact O-N 2.89Å
107L48.9Very low47.7Very low111 Ų111126.3 Ų126.358%0.58165%0.654SS**Hα-helixtrans-58.3-38.4173.9-98.3164.4000113.2D103 S110D103-L107 PolarHBondContact O-N 3.38Å; L107-S110 PolarHBondContact O-OG 3.27Å; L107-S110 VanDerWaalsContact O-OG 3.06Å
108L46Very low46.2Very low136 Ų136128.9 Ų128.971%0.71266%0.663SS**Hα-helixtrans-77-21.2179.6-70.1172.1000114H104 V106H104-L108 WeakPolarHBondContact O-CG 3.21Å; H104-L108 PolarHBondContact O-N 2.86Å; H104-L108 VanDerWaalsContact O-N 3.13Å; V106-L108 VanDerWaalsContact C-N 3.31Å; V106-L108 PolarHBondContact O-N 3.11Å
109K46.9Very low44.7Very low166 Ų166129.9 Ų129.972%0.72268%0.683SS**Hα-helixtrans-83-25.5177.9-73.1169.5-172.4169.60113.2A105 V106A105-K109 WeakPolarHBondContact O-CG 3.35Å; A105-K109 PolarHBondContact O-N 3.06Å; V106-K109 PolarHBondContact O-N 3.36Å
110S44Very low43.2Very low87 Ų87130.5 Ų130.561%0.60870%0.703SS**Hα-helixtrans-76.4-24.3-178.765.40000114.2V106 L107 K112V106-S110 PolarHBondContact O-N 2.89Å; L107-S110 PolarHBondContact O-OG 3.27Å; L107-S110 VanDerWaalsContact O-OG 3.06Å; S110-K112 VanDerWaalsContact C-N 3.33Å; S110-K112 PolarHBondContact O-N 3.25Å
111V41.2Very low41.9Very low122 Ų122131.5 Ų131.574%0.73972%0.72SS**THydrogen-bonded Turntrans-78.7-9.6-174.8177.30000113.9
112K37.8Very low40.4Very low193 Ų193138.3 Ų138.384%0.83974%0.739SS**THydrogen-bonded Turntrans-103.724.9-168.2-112.6177.8-176.4175.70117.1S110S110-K112 VanDerWaalsContact C-N 3.33Å; S110-K112 PolarHBondContact O-N 3.25Å
113K41.1Very low39.1Very low194 Ų194137.8 Ų137.884%0.84375%0.75SS**  trans-135.676.9175.5-78.2-173.2177.1174.20115.1
114T35Very low37.9Very low144 Ų144136 Ų13688%0.88376%0.757SS**  trans-159.767.5146.940.40000113.8
115T33.1Very low36.5Very low141 Ų141137.4 Ų137.487%0.86578%0.777SS**SBendtrans-142.798.6160230000113.1
116R32.3Very low35.2Very low247 Ų247142.6 Ų142.693%0.93280%0.799SS**  trans43.6105.5150.9-64.2-170.7172.1-163.4-3.8120.4
117K32.5Very low34.1Very low215 Ų215145.3 Ų145.394%0.93581%0.806SS**  trans-44.3123.4147.7175.4-176.3-174176.60113
118K30Very low33.1Very low201 Ų201145.6 Ų145.687%0.87481%0.808SS**  -174.2105.4122.4-165.2175.3-173.4-176.40113.4
119G27.6Very low32.3Very low81 Ų81144.7 Ų144.784%0.83581%0.808SS**  trans66.3143.413800000122
120G26.1Very low31.5Very low85 Ų85143.6 Ų143.688%0.87681%0.809SS**  trans113.3107.4155.500000114.9
121A29.4Very low30.7Very low96 Ų96146 Ų14679%0.79382%0.815SS**  trans-91.3140.1175.600000111.9
122K29.7Very low30.1Very low199 Ų199145.3 Ų145.387%0.86582%0.815SS**  170.1136.9114.7-93.1178.3-179.6-175.30112.4
123S27Very low29.8Very low125 Ų125141.5 Ų141.587%0.87481%0.809SS**  trans43.3129.9135.8-161.10000121.5
124G25.4Very low29.4Very low67 Ų67143.2 Ų143.269%0.69181%0.81SS**  130103.4129.800000118
125C25.5Very low29.4Very low139 Ų139145.7 Ų145.794%0.93981%0.808SS**  trans50147.3147.4-136.30000122.4
126N27.9Very low29.3Very low147 Ų147145.7 Ų145.779%0.78681%0.808SS**  trans-95.1149.4170.6-157.49.2000108.9
127E28.1Very low29.5Very low155 Ų155144.9 Ų144.972%0.72481%0.805SS**  trans154130143.5-81.2-122.4117.300114.4
128N28.6Very low29.6Very low118 Ų118141.7 Ų141.763%0.63180%0.804SS**  trans73.8119.2134.5-68.1-18.6000125.3
129V29Very low29.7Very low117 Ų117136.2 Ų136.271%0.70980%0.797SS**  90.7106.7118.6171.40000121.5
130L29.8Very low30.1Very low143 Ų143144.5 Ų144.575%0.74980%0.803SS**  trans61.6149.3133.8-70.9173000125.1
131N28.1Very low30.5Very low138 Ų138150 Ų15074%0.73880%0.802SS**  trans79.2106.4155.2-58.3-25.4000118.9
132S29Very low31.3Very low106 Ų106151.2 Ų151.274%0.74180%0.802SS**  91.2164.290.8-140.70000113.2
133T30Very low31.9Very low114 Ų114147.3 Ų147.370%0.69980%0.797SS**  cis-155.51699.7-27.30000111.5
134R34.7Very low32.3Very low230 Ų230147.3 Ų147.387%0.86880%0.797SS**  trans78.6116.5151.5-73.9170.9-173.8-178.72.3122.8
135K33.5Very low32.8Very low195 Ų195149.1 Ų149.185%0.84880%0.795SS**  trans8.7144.5132.4-57179.8178.9177.40118.2
136T31.9Very low33.3Very low141 Ų141148.4 Ų148.487%0.86579%0.787SS**  -169.4164.875.2-62.90000113.5
137R36.2Very low34.1Very low230 Ų230150.9 Ų150.987%0.86879%0.79SS**  trans-93147.1-174.4-66.9155.849.1179.3-5.5114.8
138T33.9Very low34.6Very low148 Ų148155.3 Ų155.391%0.90880%0.8SS**  trans-175.3169.1146.332.50000109
139A33.1Very low35Very low87 Ų87155.3 Ų155.372%0.71981%0.81SS**  -156.4138.7-53.700000111
140R34.7Very low35.6Very low255 Ų255159.2 Ų159.296%0.96282%0.817SS**  trans53.4141.1156-62.9-174.4176.1-161.2-0.7123.2
141K34.8Very low35.7Very low199 Ų199159.1 Ų159.187%0.86582%0.822SS**  trans-67.1176.5175.9-70.3178.7173.6-178.90113.6
142P45.9Very low36.1Very low123 Ų123159.8 Ų159.880%0.79983%0.825SS**  cis-145.7-178.53039.8-16.1000118.7
143P44.1Very low36.2Very low117 Ų117162 Ų16276%0.7683%0.829SS**  trans-95.7159-174.837.4-34.7000115.2
144S34Very low36.6Very low124 Ų124164.7 Ų164.787%0.86784%0.835SS**  trans-92.5166.6176.9-166.40000113.5
145T36.1Very low36.5Very low106 Ų106159.2 Ų159.265%0.6583%0.832SS**  trans-125155.1-150.958.30000115.2
146T36.7Very low36.7Very low124 Ų124158.5 Ų158.576%0.76183%0.829SS**  trans65.1155.3159.860.60000116.5
147K44.1Very low37Very low198 Ų198160 Ų16086%0.86183%0.826SS**  cis-146.7162.436.7-67.1170.2-179.6175.80113
148R38.7Very low37.5Very low248 Ų248152.8 Ų152.894%0.93682%0.823SS**  trans-84.8153.3166.3-66.1173.3173.3166.9-4.1110.5
149S36.3Very low37.5Very low119 Ų119151.3 Ų151.383%0.83282%0.819SS**  trans-148.5140.6145.349.40000110.6
150K42.1Very low37.9Very low199 Ų199153.2 Ų153.287%0.86582%0.822SS**  trans-94.5147.1165.8-74.6178.2171.4-176.70107.8
151V32.4Very low38.6Very low141 Ų141148.8 Ų148.886%0.85582%0.816SS**  trans-138.2146.5153.1-175.90000107.5
152L37.2Very low38.7Very low151 Ų151150.3 Ų150.379%0.79182%0.816SS**  trans-102.6177.6-179.3-68168.6000111
153D30.4Very low38.8Very low154 Ų154156 Ų15682%0.82482%0.821SS**  trans97.6154.6147.7-103.1-47.3000122
154M39Very low39.2Very low169 Ų169154.5 Ų154.583%0.83381%0.814SS**  trans-97.5153.7-155-53.4-161.472.900114.5
155S32.1Very low40.3Very low115 Ų115157 Ų15780%0.80482%0.817SS**  trans-172.1141.2140.631.90000114.6
156K37.6Very low41.1Very low180 Ų180162.2 Ų162.278%0.78383%0.825SS**  trans39.6123.2148.6-71.5-173.2167.9-173.70122.6
157E37.6Very low42Very low173 Ų173165.6 Ų165.681%0.80883%0.829SS**  51.7135.4127.8-66168.5112.700121.8
158G46.4Very low42.8Very low78 Ų78161.5 Ų161.580%0.80482%0.823SS**  trans87.439.8145.600000118.1T160G158-T160 PolarHBondContact O-N 3.44Å
159S34.2Very low43.6Very low117 Ų117157.9 Ų157.982%0.81882%0.821SS**  trans-85.7103.3169.8-155.90000112I161S159-I161 PolarHBondContact O-N 3.04Å
160T41.3Very low44.4Very low127 Ų127158.4 Ų158.478%0.77982%0.819SS**  trans-56.5131.3163.546.10000109.6G158 R162G158-T160 PolarHBondContact O-N 3.44Å; T160-R162 PolarHBondContact O-N 2.9Å
161I48.8Very low45.1Very low163 Ų163153 Ų15384%0.83680%0.803SS**  trans-61.2104.5-175.6-62.4173000109.1S159 R163S159-I161 PolarHBondContact O-N 3.04Å; I161-R163 PolarHBondContact O-N 3.04Å
162R38.5Very low46.1Very low231 Ų231152 Ų15287%0.87280%0.8SS**  trans-54.6107.6169.3-87-173.7166.9-158.3-1.9108.4T160 S164T160-R162 PolarHBondContact O-N 2.9Å; R162-S164 PolarHBondContact O-N 3.46Å
163R48.2Very low47Very low241 Ų241148.5 Ų148.591%0.90979%0.792SS**  trans-56.7101.4170.9-70.2-179.4176179.2-1.2108.7I161 N165I161-R163 PolarHBondContact O-N 3.04Å; R163-N165 PolarHBondContact O-N 3.26Å
164S52.5Low47.9Very low86 Ų86150.4 Ų150.460%0.60179%0.788SS**  trans-68.1124.1175.663.20000109.1R162 R166R162-S164 PolarHBondContact O-N 3.46Å; S164-R166 PolarHBondContact O-N 2.88Å
165N56Low48.5Very low176 Ų176149.3 Ų149.394%0.94179%0.785SS**  trans-70.664.8174-103.4-47.8000111.4R163R163-N165 PolarHBondContact O-N 3.26Å
166R53.1Low49.3Very low217 Ų217150.7 Ų150.782%0.81978%0.783SS**  trans-93.8108.7169.3-70.7-171.5176-167.40.3108S164S164-R166 PolarHBondContact O-N 2.88Å
167K56.6Low49.9Very low194 Ų194148.8 Ų148.884%0.84378%0.781SS**  trans-55.2130.2166.5-63.3-177.2178.9-175.40107.7L169K167-L169 PolarHBondContact O-N 2.82Å
168P59.4Low50.4Low112 Ų112147.7 Ų147.773%0.72778%0.781SS**  trans-62.3134.9176.225.9-33000109.3V170P168-V170 PolarHBondContact O-N 3.36Å; P168-V170 VanDerWaalsContact O-N 3.17Å
169L56.3Low50.4Low172 Ų172149.3 Ų149.390%0.90178%0.779SS**  trans-65.5113.6174.2-76.5146.3000108.4K167 T171K167-L169 PolarHBondContact O-N 2.82Å; L169-T171 PolarHBondContact O-N 3.48Å
170V53.2Low50.9Low130 Ų130146.6 Ų146.679%0.78876%0.76SS**  trans-77.2103.8177.9-179.80000108.3P168P168-V170 PolarHBondContact O-N 3.36Å; P168-V170 VanDerWaalsContact O-N 3.17Å
171T56Low51.2Low86 Ų86148.9 Ų148.953%0.52877%0.767SS.*  trans-80142.1167.3520000109.6L169 A173 R174L169-T171 PolarHBondContact O-N 3.48Å; T171-A173 PolarHBondContact O-N 3.33Å; T171-R174 PolarHBondContact O-N 2.97Å
172P53.3Low51.2Low121 Ų121150.2 Ų150.279%0.78677%0.772SS**G310 helixtrans-62.5-16-17221.9-33000114.6R174 N175P172-R174 PolarHBondContact O-N 3.34Å; P172-R174 VanDerWaalsContact O-N 3.12Å; P172-N175 PolarHBondContact O-N 3.11Å
173A55.8Low51.6Low77 Ų77145 Ų14564%0.63676%0.759SS**G310 helixtrans-66.1-8.5-179.600000115.6T171T171-A173 PolarHBondContact O-N 3.33Å
174R50.9Low52.1Low193 Ų193136 Ų13673%0.72874%0.741SS**G310 helixtrans-86.8-12.4178.6-67.7-168.375.9109.6-0.5114.9T171 P172 L176T171-R174 PolarHBondContact O-N 2.97Å; P172-R174 PolarHBondContact O-N 3.34Å; P172-R174 VanDerWaalsContact O-N 3.12Å; R174-L176 PolarHBondContact O-N 3.02Å
175N49.8Very low51.9Low146 Ų146138.5 Ų138.578%0.78176%0.755SS**THydrogen-bonded Turntrans-89.57.3-171.4-145.656000114.9P172P172-N175 PolarHBondContact O-N 3.11Å
176L50.3Low51.7Low144 Ų144134.5 Ų134.575%0.75474%0.737SS**THydrogen-bonded Turntrans-98.3-0.5179.7-73.8173.3000114R174R174-L176 PolarHBondContact O-N 3.02Å
177L50.8Low51.7Low140 Ų140129.3 Ų129.373%0.73373%0.731SS**SBendtrans-90.9-8.3-173.8-67.4171.5000114.2
178D47.2Very low51.6Low151 Ų151128.7 Ų128.781%0.80774%0.737SS**THydrogen-bonded Turntrans-94.82.9-176.9-149.126.6000113.4
179S45.8Very low51.6Low111 Ų111130.4 Ų130.478%0.77674%0.738SS**THydrogen-bonded Turntrans-112.218.8179.5-49.40000113.1
180S45.3Very low51.6Low60 Ų60127.7 Ų127.742%0.4273%0.729SS.*  trans-114.450.6-179.3-1480000112.9M182 M183S180-M182 PolarHBondContact O-N 2.98Å; S180-M182 VanDerWaalsContact O-N 3.08Å; S180-M183 PolarHBondContact O-N 3.32Å; S180-M183 WeakPolarHBondContact OG-CG 3.43Å
181L48Very low51.9Low175 Ų175126.8 Ų126.892%0.91673%0.725SS**THydrogen-bonded Turntrans-69.67.1170.5-68.7174.5000113.9
182M48.8Very low52Low191 Ų191134.2 Ų134.294%0.94174%0.744SS**THydrogen-bonded Turntrans-112.5-5173.8-78.9-126.4138.200114.2S180S180-M182 PolarHBondContact O-N 2.98Å; S180-M182 VanDerWaalsContact O-N 3.08Å
183M47.1Very low52.3Low122 Ų122136 Ų13660%0.60174%0.74SS**SBendtrans-92.3114.1169.5-77.4-70.4-76.100109.2S180 T186S180-M183 PolarHBondContact O-N 3.32Å; S180-M183 WeakPolarHBondContact OG-CG 3.43Å; M183-T186 HydrophobicContact CE-CG2 3.77Å
184G58.3Low52.5Low51 Ų51136 Ų13653%0.52673%0.729SS.*  trans-57.8169.9166.700000111.6T186G184-T186 VanDerWaalsContact C-N 3.3Å; G184-T186 PolarHBondContact O-N 2.93Å
185P47.4Very low53Low139 Ų139132 Ų13290%0.90373%0.728SS**  trans-6879.5-167.928.8-36.9000113.2
186T51.8Low53.7Low93 Ų93135.6 Ų135.657%0.57173%0.73SS**  trans-62.9122.2163.745.50000108.1M183 G184 L188M183-T186 HydrophobicContact CE-CG2 3.77Å; G184-T186 VanDerWaalsContact C-N 3.3Å; G184-T186 PolarHBondContact O-N 2.93Å; T186-L188 PolarHBondContact O-N 2.79Å
187P53.7Low54.4Low107 Ų107133.4 Ų133.470%0.69572%0.719SS**  trans-59.7131.3-178.223.2-32.8000110.1I189P187-I189 PolarHBondContact O-N 3.13Å
188L55Low54.6Low182 Ų182132.2 Ų132.295%0.95372%0.719SS**SBendtrans-63.58.1-177.7-77.2159.4000114.8T186T186-L188 PolarHBondContact O-N 2.79Å
189I59.4Low55.2Low147 Ų147134 Ų13475%0.75472%0.72SS**  trans-122.677.7177.9-54.8171.6000106.8P187P187-I189 PolarHBondContact O-N 3.13Å
190T56Low55.8Low116 Ų116133.2 Ų133.271%0.71271%0.711SS**  trans-68.6127.9157.350.20000107.3R192T190-R192 PolarHBondContact O-N 3Å; T190-R192 VanDerWaalsContact O-N 3.07Å
191P58.3Low56Low110 Ų110135.6 Ų135.671%0.71473%0.725SS**  trans-61.5118.717624.6-32.2000108F193P191-F193 PolarHBondContact O-N 3.48Å
192R59.6Low56.7Low243 Ų243130.9 Ų130.992%0.91771%0.711SS**  trans-60.9111.8176.8-84.7-178167.8176-4.4108.3T190 D194T190-R192 PolarHBondContact O-N 3Å; T190-R192 VanDerWaalsContact O-N 3.07Å; R192-D194 PolarHBondContact O-N 3.04Å; R192-D194 VanDerWaalsContact O-N 3.12Å
193F58.9Low57.3Low159 Ų159125.1 Ų125.170%0.69769%0.686SS**  trans-53.7116.3174.2-176-94.7000109.3P191 P195P191-F193 PolarHBondContact O-N 3.48Å; F193-P195 VanDerWaalsContact O-CD 3.27Å; F193-P195 WeakPolarHBondContact O-CD 3.34Å
194D60.6Low58.4Low76 Ų76123.8 Ų123.841%0.40668%0.675SS.*  trans-78.7112.2175.7-179.7-0.9000108.7R192 R196 L197R192-D194 PolarHBondContact O-N 3.04Å; R192-D194 VanDerWaalsContact O-N 3.12Å; D194-R196 PolarHBondContact O-N 3.33Å; D194-R196 VanDerWaalsContact OD1-CB 3.29Å; D194-R196 WeakPolarHBondContact OD1-CB 3.42Å; D194-R196 PolarHBondContact OD1-N 3.02Å; D194-L197 HydrophobicContact CB-CD1 4.03Å; D194-L197 HydrophobicContact CB-CG 4.04Å; D194-L197 WeakPolarHBondContact O-CB 3.35Å; D194-L197 PolarHBondContact O-N 3.15Å
195P59.9Low58.9Low108 Ų108125.5 Ų125.570%0.70168%0.675SS**THydrogen-bonded Turntrans-68.9-2.7-178.632.1-37.8000113.5F193F193-P195 VanDerWaalsContact O-CD 3.27Å; F193-P195 WeakPolarHBondContact O-CD 3.34Å
196R65.7Low60Low223 Ų223119.3 Ų119.384%0.84263%0.634SS**THydrogen-bonded Turntrans-92.1-12.8173-58.4177.9174.9-174.8-1.7113.5D194D194-R196 PolarHBondContact O-N 3.33Å; D194-R196 VanDerWaalsContact OD1-CB 3.29Å; D194-R196 WeakPolarHBondContact OD1-CB 3.42Å; D194-R196 PolarHBondContact OD1-N 3.02Å
197L64.1Low61Low98 Ų98124.2 Ų124.251%0.51364%0.643SS.*SBendtrans-59.5140.5166.5-71.2167.3000108.3D194 K199D194-L197 HydrophobicContact CB-CD1 4.03Å; D194-L197 HydrophobicContact CB-CG 4.04Å; D194-L197 WeakPolarHBondContact O-CB 3.35Å; D194-L197 PolarHBondContact O-N 3.15Å; L197-K199 PolarHBondContact O-N 3.06Å; L197-K199 VanDerWaalsContact O-N 3.08Å
198P56.6Low62.2Low114 Ų114120.5 Ų120.574%0.7462%0.616SS**  trans-56.3123.8174.424.8-33000107.6T200P198-T200 PolarHBondContact O-N 3.02Å
199K59.9Low63.2Low188 Ų188117 Ų11782%0.81759%0.593SS**  trans-52.5112.8172.1-67.8-178.8-179.3-179.90106.4L197L197-K199 PolarHBondContact O-N 3.06Å; L197-K199 VanDerWaalsContact O-N 3.08Å
200T57.2Low64.1Low95 Ų95111.9 Ų111.958%0.58357%0.566SS**  trans-55.7128.8174.642.60000106.7P198 A202P198-T200 PolarHBondContact O-N 3.02Å; T200-A202 WeakPolarHBondContact O-CA 3.44Å; T200-A202 PolarHBondContact O-N 3.33Å; T200-A202 VanDerWaalsContact O-N 3.1Å
201P49.9Very low65.1Low110 Ų110114 Ų11471%0.71456%0.561SS**  trans-53.4126.2-174.819.1-30.7000108.2V203P201-V203 PolarHBondContact O-N 3.22Å
202A62.4Low65.9Low77 Ų77109.7 Ų109.764%0.63653%0.533SS*.SBendtrans-69.4-0.1-147.400000115.2T200 P221T200-A202 WeakPolarHBondContact O-CA 3.44Å; T200-A202 PolarHBondContact O-N 3.33Å; T200-A202 VanDerWaalsContact O-N 3.1Å; A202-P221 VanDerWaalsContact O-CD 3.29Å; A202-P221 WeakPolarHBondContact O-CD 3.48Å; A202-P221 WeakPolarHBondContact O-CG 3.35Å
203V61.5Low66.4Low69 Ų69103.6 Ų103.642%0.41851%0.513SS..  trans-146.9134.7178.6-173.90000108.2P201 P221 Q223P201-V203 PolarHBondContact O-N 3.22Å; V203-P221 WeakPolarHBondContact CA-O 3.25Å; V203-P221 HydrophobicContact CG2-CG 4.37Å; V203-Q223 HydrophobicContact CG1-CB 3.19Å; V203-Q223 HydrophobicContact CG1-CG 4.22Å; V203-Q223 VanDerWaalsContact CG1-OE1 3.31Å
204R69.8Low66.6Low94 Ų94100.2 Ų100.236%0.35551%0.509SS..BIsolated β-bridgetrans-127.9152.3175.369.2-177.5-175.289.7-10.5111.3E210 P221 I222 Q223R204-E210 IonicContact CZ-OE1 3.27Å; R204-E210 IonicContact CZ-OE2 3.93Å; R204-E210 IonicContact NH1-OE1 3.7Å; R204-E210 PolarHBondContact NH1-OE1 3.37Å; R204-E210 IonicContact NH1-OE2 3.15Å; R204-E210 PolarHBondContact NH1-OE2 3.43Å; R204-E210 IonicContact NH2-OE1 2.67Å; R204-E210 PolarHBondContact NH2-OE1 2.88Å; R204-P221 PolarHBondContact N-O 3.13Å; R204-I222 HydrophobicContact CG-CG1 4.32Å; R204-I222 VanDerWaalsContact NH2-CD1 3.34Å; R204-I222 CarbonylContact O-C 3.58Å; R204-I222 WeakPolarHBondContact O-CA 3.5Å; R204-Q223 PolarHBondContact O-N 3.06Å
205V69.7Low66.5Low87 Ų87104.8 Ų104.853%0.52753%0.53SS..PPolyproline II helixtrans-81144172-1750000108.9
206P70.2Confident66.1Low9 Ų9102.9 Ų102.96%0.05852%0.519CS..PPolyproline II helixtrans-46.7140.3165-32.938.7000112.7I222 Q223 V229 Q241 L243P206-I222 HydrophobicContact CB-CG2 4.35Å; P206-I222 HydrophobicContact CG-CG2 3.42Å; P206-I222 VanDerWaalsContact CG-CG2 3.42Å; P206-Q223 WeakPolarHBondContact CD-O 3.31Å; P206-V229 HydrophobicContact CB-CG1 4.24Å; P206-V229 HydrophobicContact CB-CG2 4.38Å; P206-V229 HydrophobicContact CG-CB 4.5Å; P206-V229 HydrophobicContact CG-CG1 3.88Å; P206-V229 HydrophobicContact CG-CG2 3.91Å; P206-Q241 HydrophobicContact CB-CB 4.27Å; P206-L243 HydrophobicContact CB-CD1 3.97Å
207R73.1Confident65.5Low196 Ų19699.2 Ų99.274%0.7452%0.521SS*.PPolyproline II helixtrans-90.4146156.7-65-175.5177.1-161.1-1.7109.5E210R207-E210 HydrophobicContact CB-CB 4.12Å; R207-E210 PolarHBondContact N-OE2 3.36Å; R207-E210 WeakPolarHBondContact O-CB 3.31Å; R207-E210 PolarHBondContact O-N 3.34Å
208H78.3Confident64.9Low29 Ų29101.2 Ų101.213%0.13453%0.532CS..THydrogen-bonded Turntrans-61.6139.9171.8-178.189.7000110.6E210 L243 E246 L250H208-E210 PolarHBondContact O-N 2.97Å; H208-L243 HydrophobicContact CB-CB 4.3Å; H208-L243 HydrophobicContact CB-CD1 4.33Å; H208-L243 HydrophobicContact CB-CD2 4.45Å; H208-L243 PolarHBondContact ND1-N 2.93Å; H208-E246 WeakPolarHBondContact CB-OE2 3.33Å; H208-E246 IonicContact CD2-OE2 3.18Å; H208-E246 PolarHBondContact CD2-OE2 3.14Å; H208-E246 VanDerWaalsContact CD2-OE2 3.27Å; H208-E246 VanDerWaalsContact CE1-CB 3.42Å; H208-E246 WeakPolarHBondContact CE1-CB 3.25Å; H208-E246 PolarHBondContact CE1-O 3.28Å; H208-E246 IonicContact CG-OE2 2.89Å; H208-E246 WeakPolarHBondContact ND1-CB 3.41Å; H208-E246 IonicContact ND1-OE2 2.67Å; H208-L250 VanDerWaalsContact CE1-CD2 3.44Å; H208-L250 WeakPolarHBondContact CE1-CD2 3.26Å; H208-L250 VanDerWaalsContact NE2-CD2 3.27Å; H208-L250 WeakPolarHBondContact NE2-CD2 3.5Å
209K75.6Confident64.9Low108 Ų10897.9 Ų97.947%0.4752%0.519SS..THydrogen-bonded Turntrans62.413.9-173.1-63.9159.5-177.41600114.5Q241 S249 L250K209-Q241 PolarHBondContact N-O 2.89Å; K209-S249 PolarHBondContact NZ-O 3.29Å; K209-L250 HydrophobicContact CD-CD2 4.45Å; K209-L250 VanDerWaalsContact CE-CD2 3.41Å; K209-L250 HydrophobicContact CG-CD2 4.13Å
210E78.7Confident64.7Low41 Ų4190.8 Ų90.819%0.19249%0.493CS..EExtended strand (participates in β ladder)trans-72.4131.1178.6-163.9-175.4152.800111.9R204 R207 H208 V212 I240 Q241R204-E210 IonicContact CZ-OE1 3.27Å; R204-E210 IonicContact CZ-OE2 3.93Å; R204-E210 IonicContact NH1-OE1 3.7Å; R204-E210 PolarHBondContact NH1-OE1 3.37Å; R204-E210 IonicContact NH1-OE2 3.15Å; R204-E210 PolarHBondContact NH1-OE2 3.43Å; R204-E210 IonicContact NH2-OE1 2.67Å; R204-E210 PolarHBondContact NH2-OE1 2.88Å; R207-E210 HydrophobicContact CB-CB 4.12Å; R207-E210 PolarHBondContact N-OE2 3.36Å; R207-E210 WeakPolarHBondContact O-CB 3.31Å; R207-E210 PolarHBondContact O-N 3.34Å; H208-E210 PolarHBondContact O-N 2.97Å; E210-V212 HydrophobicContact CB-CG2 4.49Å; E210-V212 HydrophobicContact CG-CG2 4.09Å; E210-I240 WeakPolarHBondContact O-CA 3.25Å; E210-Q241 PolarHBondContact O-N 3.45Å
211R77.5Confident64.7Low161 Ų16190.1 Ų90.161%0.60849%0.491SS*.EExtended strand (participates in β ladder)trans-81.7119.6169.1-72.8170.674.2171.62.9109.4E238 I240R211-E238 IonicContact CZ-OE2 3.07Å; R211-E238 IonicContact NE-OE2 3.13Å; R211-E238 PolarHBondContact NE-OE2 3.45Å; R211-E238 VanDerWaalsContact NH2-CD 3.26Å; R211-E238 IonicContact NH2-OE1 2.83Å; R211-E238 PolarHBondContact NH2-OE1 3.45Å; R211-E238 VanDerWaalsContact NH2-OE1 3.07Å; R211-E238 IonicContact NH2-OE2 3.87Å; R211-E238 PolarHBondContact NH2-OE2 2.88Å; R211-I240 HydrophobicContact CG-CD1 4.49Å; R211-I240 HydrophobicContact CG-CG1 3.99Å
212V74.3Confident65.6Low19 Ų1987.3 Ų87.312%0.11547%0.469CS..EExtended strand (participates in β ladder)trans-126136.2-177.8170.40000109.2E210 I222 S239 Q241E210-V212 HydrophobicContact CB-CG2 4.49Å; E210-V212 HydrophobicContact CG-CG2 4.09Å; V212-I222 HydrophobicContact CB-CD1 4.32Å; V212-I222 HydrophobicContact CG1-CD1 3.61Å; V212-I222 HydrophobicContact CG2-CD1 3.66Å; V212-S239 PolarHBondContact N-O 3.4Å; V212-S239 PolarHBondContact O-N 3.4Å; V212-S239 VanDerWaalsContact O-O 3.09Å; V212-S239 PolarHBondContact O-OG 3.14Å; V212-Q241 HydrophobicContact CB-CG 4.09Å; V212-Q241 HydrophobicContact CG2-CG 3.74Å
213F71Confident65.8Low114 Ų11489.5 Ų89.550%0.547%0.466SS..EExtended strand (participates in β ladder)trans-81.9129.7173.3-68.2-92000109.8M215 G237 E238F213-M215 PolarHBondContact O-N 3Å; F213-G237 WeakPolarHBondContact CA-O 3.48Å; F213-E238 HydrophobicContact CD1-CG 3.69Å; F213-E238 HydrophobicContact CE1-CG 3.28Å; F213-E238 HydrophobicContact CE2-CG 4.41Å; F213-E238 HydrophobicContact CG-CG 4.42Å; F213-E238 HydrophobicContact CZ-CG 3.68Å
214S63.5Low65.8Low89 Ų8989.3 Ų89.362%0.62247%0.472SS*.SBendtrans-65.5-21.6178.461.70000112.8G237S214-G237 PolarHBondContact N-O 2.92Å; S214-G237 PolarHBondContact OG-O 3.03Å
215M57.6Low65.7Low171 Ų17186.5 Ų86.584%0.84247%0.472SS*.SBendtrans-130.792.5174.5-61.8-174.172.700110.1F213F213-M215 PolarHBondContact O-N 3Å
216S52.6Low65.9Low68 Ų6889 Ų8948%0.47649%0.494SS..  trans-113.6114.6170.8-174.70000110.9N218 G219S216-N218 PolarHBondContact O-N 3.12Å; S216-G219 PolarHBondContact O-N 2.91Å; S216-G219 PolarHBondContact OG-N 3.48Å; S216-G219 VanDerWaalsContact OG-N 3.1Å
217V51.2Low66.3Low146 Ų14690.3 Ų90.389%0.88550%0.5SS*.THydrogen-bonded Turntrans-63.9-22.9177.3-1760000111.9
218N52.1Low66.7Low140 Ų14086.8 Ų86.875%0.74950%0.495SS*.THydrogen-bonded Turntrans-119.611-175.9-64.84.9000113.1S216S216-N218 PolarHBondContact O-N 3.12Å
219G56Low67Low45 Ų4587 Ų8746%0.46450%0.498SS..PPolyproline II helixtrans-79.3131.3-17700000112.5S216S216-G219 PolarHBondContact O-N 2.91Å; S216-G219 PolarHBondContact OG-N 3.48Å; S216-G219 VanDerWaalsContact OG-N 3.1Å
220S56Low67.5Low39 Ų3984 Ų8427%0.27349%0.487SS..PPolyproline II helixtrans-58.6134.9164.3-56.40000109.4I222S220-I222 PolarHBondContact O-N 3.38Å
221P58.7Low67.8Low81 Ų8186.4 Ų86.453%0.52650%0.501SS..PPolyproline II helixtrans-59.9129.3178.725.2-33.9000109.8A202 V203 R204A202-P221 VanDerWaalsContact O-CD 3.29Å; A202-P221 WeakPolarHBondContact O-CD 3.48Å; A202-P221 WeakPolarHBondContact O-CG 3.35Å; V203-P221 WeakPolarHBondContact CA-O 3.25Å; V203-P221 HydrophobicContact CG2-CG 4.37Å; R204-P221 PolarHBondContact N-O 3.13Å
222I67.1Low68.2Low50 Ų5078.9 Ų78.926%0.25647%0.473SS..BIsolated β-bridgetrans-94.1113-179.7-56.9179.8000107R204 P206 V212 S220R204-I222 HydrophobicContact CG-CG1 4.32Å; R204-I222 VanDerWaalsContact NH2-CD1 3.34Å; R204-I222 CarbonylContact O-C 3.58Å; R204-I222 WeakPolarHBondContact O-CA 3.5Å; P206-I222 HydrophobicContact CB-CG2 4.35Å; P206-I222 HydrophobicContact CG-CG2 3.42Å; P206-I222 VanDerWaalsContact CG-CG2 3.42Å; V212-I222 HydrophobicContact CB-CD1 4.32Å; V212-I222 HydrophobicContact CG1-CD1 3.61Å; V212-I222 HydrophobicContact CG2-CD1 3.66Å; S220-I222 PolarHBondContact O-N 3.38Å
223Q66.7Low68.7Low123 Ų12381.9 Ų81.958%0.57549%0.493SS*.  trans-91.5131.1179.3175172.519.300109.4V203 R204 P206 G225V203-Q223 HydrophobicContact CG1-CB 3.19Å; V203-Q223 HydrophobicContact CG1-CG 4.22Å; V203-Q223 VanDerWaalsContact CG1-OE1 3.31Å; R204-Q223 PolarHBondContact O-N 3.06Å; P206-Q223 WeakPolarHBondContact CD-O 3.31Å; Q223-G225 PolarHBondContact O-N 3.1Å
224A63.2Low69Low66 Ų6678.2 Ų78.255%0.54548%0.48SS..  trans-57.4123.716600000108.8
225G66.4Low69.6Low35 Ų3575.9 Ų75.936%0.36147%0.469SS..  trans-73.4-155.1175.800000111.5Q223 D227Q223-G225 PolarHBondContact O-N 3.1Å; G225-D227 PolarHBondContact O-N 3.43Å
226S74.6Confident70.4Confident140 Ų14075.3 Ų75.398%0.97947%0.469SS*.SBendtrans-72.4-9.9170.352.20000113.8
227D78.1Confident71.4Confident35 Ų3574 Ų7419%0.18747%0.467CS..SBendtrans-98.5153.9179.7-170.428.4000112G225 V229 L243 A244 S245G225-D227 PolarHBondContact O-N 3.43Å; D227-V229 PolarHBondContact O-N 2.88Å; D227-L243 WeakPolarHBondContact OD2-CB 3.31Å; D227-L243 VanDerWaalsContact OD2-CG 3.29Å; D227-L243 WeakPolarHBondContact OD2-CG 3.28Å; D227-A244 PolarHBondContact OD2-N 2.97Å; D227-S245 PolarHBondContact OD1-N 3.1Å; D227-S245 PolarHBondContact OD1-OG 2.93Å; D227-S245 WeakPolarHBondContact OD2-CB 3.5Å; D227-S245 PolarHBondContact OD2-N 3.45Å; D227-S245 PolarHBondContact OD2-OG 3.5Å
228I82.2Confident72.6Confident123 Ų12368.5 Ų68.563%0.63143%0.431SS*.  trans-78.5122.2179.3-60.2172.5000109.1A244I228-A244 HydrophobicContact CB-CB 3.79Å; I228-A244 HydrophobicContact CG2-CB 4.43Å; I228-A244 PolarHBondContact O-N 3.35Å
229V84.3Confident74.1Confident34 Ų3462.4 Ų62.421%0.20640%0.4CS..EExtended strand (participates in β ladder)trans-109.3122-176.9-178.50000110P206 D227 Q241 L243P206-V229 HydrophobicContact CB-CG1 4.24Å; P206-V229 HydrophobicContact CB-CG2 4.38Å; P206-V229 HydrophobicContact CG-CB 4.5Å; P206-V229 HydrophobicContact CG-CG1 3.88Å; P206-V229 HydrophobicContact CG-CG2 3.91Å; D227-V229 PolarHBondContact O-N 2.88Å; V229-Q241 HydrophobicContact CG1-CB 4.4Å; V229-L243 HydrophobicContact CG2-CD1 4.36Å
230I86.1Confident75.5Confident45 Ų4561.6 Ų61.623%0.23139%0.385CS..EExtended strand (participates in β ladder)trans-106.7117.5177.4-54.5174.4000108.3V232 L242 M247 L266I230-V232 HydrophobicContact CG2-CG2 4.08Å; I230-L242 HydrophobicContact CB-CB 4.36Å; I230-L242 PolarHBondContact N-O 2.99Å; I230-L242 PolarHBondContact O-N 3.22Å; I230-M247 HydrophobicContact CD1-SD 4.33Å; I230-L266 HydrophobicContact CG2-CD2 4.13Å
231N85.7Confident76.9Confident90 Ų9060.1 Ų60.148%0.48137%0.373SS..EExtended strand (participates in β ladder)trans-91.6111.1174.1-64.4-53.3000109.5Q241N231-Q241 PolarHBondContact OD1-NE2 3.47Å
232V85.2Confident78.2Confident4 Ų456.6 Ų56.62%0.02435%0.35CS..EExtended strand (participates in β ladder)trans-100.1120.4177.7-177.30000109.6I230 S239 I240 L242 A259 I263I230-V232 HydrophobicContact CG2-CG2 4.08Å; V232-S239 CarbonylContact O-C 3.46Å; V232-S239 WeakPolarHBondContact O-CA 3.32Å; V232-S239 WeakPolarHBondContact O-CB 3.46Å; V232-I240 PolarHBondContact N-O 3.1Å; V232-I240 PolarHBondContact O-N 3.28Å; V232-L242 HydrophobicContact CG2-CD1 3.66Å; V232-L242 HydrophobicContact CG2-CG 4.27Å; V232-A259 HydrophobicContact CG1-CB 3.84Å; V232-I263 HydrophobicContact CG1-CD1 4.02Å; V232-I263 HydrophobicContact CG1-CG1 3.96Å; V232-I263 HydrophobicContact CG2-CD1 4.07Å; V232-I263 HydrophobicContact CG2-CG1 3.9Å
233P84Confident79.1Confident82 Ų8255.2 Ų55.253%0.53234%0.343SS..EExtended strand (participates in β ladder)trans-69.5132.9177.329.2-33.6000110.8
234V78.8Confident79.9Confident37 Ų3751.1 Ų51.122%0.22433%0.331CS..EExtended strand (participates in β ladder)trans-116.28.3179.3-64.70000113.5E238 I240 A259V234-E238 HydrophobicContact CG2-CB 3.74Å; V234-E238 PolarHBondContact N-O 3.41Å; V234-I240 HydrophobicContact CG1-CB 4.44Å; V234-I240 HydrophobicContact CG1-CD1 3.75Å; V234-I240 HydrophobicContact CG1-CG1 3.82Å; V234-I240 HydrophobicContact CG2-CG1 4.21Å; V234-A259 HydrophobicContact CG1-CB 4.18Å
235G75.6Confident80.8Confident39 Ų3952.4 Ų52.440%0.40234%0.336SS..EExtended strand (participates in β ladder)trans101171.9-17900000113.1G237 E238G235-G237 PolarHBondContact O-N 3.06Å; G235-E238 WeakPolarHBondContact O-CB 3.4Å; G235-E238 PolarHBondContact O-N 3.44Å
236N74.3Confident81.5Confident159 Ų15955.1 Ų55.185%0.8534%0.339SS*.THydrogen-bonded Turntrans5324175.4-60.1-15.5000116.8E238N236-E238 VanDerWaalsContact C-N 3.27Å
237G72.8Confident81.7Confident41 Ų4152.4 Ų52.442%0.42331%0.311SS..THydrogen-bonded Turntrans79.76.8-175.100000114.4F213 S214 G235F213-G237 WeakPolarHBondContact CA-O 3.48Å; S214-G237 PolarHBondContact N-O 2.92Å; S214-G237 PolarHBondContact OG-O 3.03Å; G235-G237 PolarHBondContact O-N 3.06Å
238E77.6Confident81.8Confident30 Ų3059 Ų5914%0.1435%0.347CS..EExtended strand (participates in β ladder)trans-95.4146.7176.1-64.7-174.2-143.700112.6R211 F213 V234 G235 N236R211-E238 IonicContact CZ-OE2 3.07Å; R211-E238 IonicContact NE-OE2 3.13Å; R211-E238 PolarHBondContact NE-OE2 3.45Å; R211-E238 VanDerWaalsContact NH2-CD 3.26Å; R211-E238 IonicContact NH2-OE1 2.83Å; R211-E238 PolarHBondContact NH2-OE1 3.45Å; R211-E238 VanDerWaalsContact NH2-OE1 3.07Å; R211-E238 IonicContact NH2-OE2 3.87Å; R211-E238 PolarHBondContact NH2-OE2 2.88Å; F213-E238 HydrophobicContact CD1-CG 3.69Å; F213-E238 HydrophobicContact CE1-CG 3.28Å; F213-E238 HydrophobicContact CE2-CG 4.41Å; F213-E238 HydrophobicContact CG-CG 4.42Å; F213-E238 HydrophobicContact CZ-CG 3.68Å; V234-E238 HydrophobicContact CG2-CB 3.74Å; V234-E238 PolarHBondContact N-O 3.41Å; G235-E238 WeakPolarHBondContact O-CB 3.4Å; G235-E238 PolarHBondContact O-N 3.44Å; N236-E238 VanDerWaalsContact C-N 3.27Å
239S83.8Confident81.5Confident13 Ų1356.4 Ų56.49%0.09134%0.34CS..EExtended strand (participates in β ladder)trans-131.8149.4167.753.60000110.7V212 V232V212-S239 PolarHBondContact N-O 3.4Å; V212-S239 PolarHBondContact O-N 3.4Å; V212-S239 VanDerWaalsContact O-O 3.09Å; V212-S239 PolarHBondContact O-OG 3.14Å; V232-S239 CarbonylContact O-C 3.46Å; V232-S239 WeakPolarHBondContact O-CA 3.32Å; V232-S239 WeakPolarHBondContact O-CB 3.46Å
240I84.3Confident80.9Confident27 Ų2756.2 Ų56.214%0.13834%0.337CS..EExtended strand (participates in β ladder)trans-97.8134.8169.9-65.5179.5000108.5E210 R211 V232 V234 L242 L255E210-I240 WeakPolarHBondContact O-CA 3.25Å; R211-I240 HydrophobicContact CG-CD1 4.49Å; R211-I240 HydrophobicContact CG-CG1 3.99Å; V232-I240 PolarHBondContact N-O 3.1Å; V232-I240 PolarHBondContact O-N 3.28Å; V234-I240 HydrophobicContact CG1-CB 4.44Å; V234-I240 HydrophobicContact CG1-CD1 3.75Å; V234-I240 HydrophobicContact CG1-CG1 3.82Å; V234-I240 HydrophobicContact CG2-CG1 4.21Å; I240-L242 HydrophobicContact CG2-CD2 3.82Å; I240-L255 HydrophobicContact CD1-CD2 3.7Å
241Q85.6Confident80.4Confident8 Ų858.7 Ų58.74%0.03735%0.351CS..EExtended strand (participates in β ladder)trans-89.9116.5175.6-51.1-155.4-67.200110.1P206 K209 E210 V212 V229 N231P206-Q241 HydrophobicContact CB-CB 4.27Å; K209-Q241 PolarHBondContact N-O 2.89Å; E210-Q241 PolarHBondContact O-N 3.45Å; V212-Q241 HydrophobicContact CB-CG 4.09Å; V212-Q241 HydrophobicContact CG2-CG 3.74Å; V229-Q241 HydrophobicContact CG1-CB 4.4Å; N231-Q241 PolarHBondContact OD1-NE2 3.47Å
242L85.5Confident79.8Confident8 Ų857.5 Ų57.54%0.04234%0.344CS..EExtended strand (participates in β ladder)trans-106126.1174.5-53.6-179.5000108.7I230 V232 I240 L250 I263I230-L242 HydrophobicContact CB-CB 4.36Å; I230-L242 PolarHBondContact N-O 2.99Å; I230-L242 PolarHBondContact O-N 3.22Å; V232-L242 HydrophobicContact CG2-CD1 3.66Å; V232-L242 HydrophobicContact CG2-CG 4.27Å; I240-L242 HydrophobicContact CG2-CD2 3.82Å; L242-L250 HydrophobicContact CB-CD1 4.48Å; L242-L250 HydrophobicContact CD1-CD1 4.23Å; L242-L250 HydrophobicContact CD2-CD1 4.03Å; L242-L250 HydrophobicContact CD2-CD2 3.96Å; L242-L250 HydrophobicContact CG-CD1 4.48Å; L242-I263 HydrophobicContact CD1-CD1 4.46Å
243L85.8Confident79.3Confident21 Ų2162.5 Ų62.511%0.1138%0.375CS..EExtended strand (participates in β ladder)trans-90.9131.4172.6-93.866000109.3P206 H208 D227 V229 S245 E246 M247P206-L243 HydrophobicContact CB-CD1 3.97Å; H208-L243 HydrophobicContact CB-CB 4.3Å; H208-L243 HydrophobicContact CB-CD1 4.33Å; H208-L243 HydrophobicContact CB-CD2 4.45Å; H208-L243 PolarHBondContact ND1-N 2.93Å; D227-L243 WeakPolarHBondContact OD2-CB 3.31Å; D227-L243 VanDerWaalsContact OD2-CG 3.29Å; D227-L243 WeakPolarHBondContact OD2-CG 3.28Å; V229-L243 HydrophobicContact CG2-CD1 4.36Å; L243-S245 VanDerWaalsContact C-N 3.29Å; L243-S245 PolarHBondContact O-N 3.22Å; L243-E246 PolarHBondContact O-N 3.05Å; L243-M247 WeakPolarHBondContact O-CG 3.37Å; L243-M247 PolarHBondContact O-N 2.91Å
244A83.3Confident78.9Confident37 Ų3765.7 Ų65.731%0.30639%0.387SS..G310 helixtrans-60-40179.100000111.9D227 I228 E246 M247D227-A244 PolarHBondContact OD2-N 2.97Å; I228-A244 HydrophobicContact CB-CB 3.79Å; I228-A244 HydrophobicContact CG2-CB 4.43Å; I228-A244 PolarHBondContact O-N 3.35Å; A244-E246 PolarHBondContact O-N 3.44Å; A244-E246 VanDerWaalsContact O-N 3.12Å; A244-M247 PolarHBondContact O-N 3Å
245S82.9Confident78.9Confident93 Ų9365.1 Ų65.165%0.6538%0.382SS*.G310 helixtrans-64.6-15-179.4-63.60000114.7D227 L243D227-S245 PolarHBondContact OD1-N 3.1Å; D227-S245 PolarHBondContact OD1-OG 2.93Å; D227-S245 WeakPolarHBondContact OD2-CB 3.5Å; D227-S245 PolarHBondContact OD2-N 3.45Å; D227-S245 PolarHBondContact OD2-OG 3.5Å; L243-S245 VanDerWaalsContact C-N 3.29Å; L243-S245 PolarHBondContact O-N 3.22Å
246E81.1Confident79.3Confident91 Ų9167.5 Ų67.543%0.42539%0.386SS..G310 helixtrans-118.511-177-71-178.9-154.100112.8H208 L243 A244 D248 S249H208-E246 WeakPolarHBondContact CB-OE2 3.33Å; H208-E246 IonicContact CD2-OE2 3.18Å; H208-E246 PolarHBondContact CD2-OE2 3.14Å; H208-E246 VanDerWaalsContact CD2-OE2 3.27Å; H208-E246 VanDerWaalsContact CE1-CB 3.42Å; H208-E246 WeakPolarHBondContact CE1-CB 3.25Å; H208-E246 PolarHBondContact CE1-O 3.28Å; H208-E246 IonicContact CG-OE2 2.89Å; H208-E246 WeakPolarHBondContact ND1-CB 3.41Å; H208-E246 IonicContact ND1-OE2 2.67Å; L243-E246 PolarHBondContact O-N 3.05Å; A244-E246 PolarHBondContact O-N 3.44Å; A244-E246 VanDerWaalsContact O-N 3.12Å; E246-D248 VanDerWaalsContact C-N 3.3Å; E246-D248 PolarHBondContact O-N 3.13Å; E246-S249 PolarHBondContact O-N 3.22Å; E246-S249 VanDerWaalsContact O-N 3.12Å; E246-S249 PolarHBondContact O-OG 3.08Å
247M79.6Confident79.8Confident83 Ų8365 Ų6541%0.40937%0.369SS..G310 helixtrans-62.1-30.5-174.8-76.9-170.667.600114.5I230 L243 A244 S249 L250I230-M247 HydrophobicContact CD1-SD 4.33Å; L243-M247 WeakPolarHBondContact O-CG 3.37Å; L243-M247 PolarHBondContact O-N 2.91Å; A244-M247 PolarHBondContact O-N 3Å; M247-S249 PolarHBondContact O-N 3.29Å; M247-S249 VanDerWaalsContact O-N 3.16Å; M247-L250 HydrophobicContact CB-CD1 4.22Å; M247-L250 HydrophobicContact CG-CD1 3.94Å; M247-L250 VanDerWaalsContact O-CB 3.27Å; M247-L250 WeakPolarHBondContact O-CB 3.49Å; M247-L250 PolarHBondContact O-N 3.48Å; M247-L250 VanDerWaalsContact O-N 3.11Å
248D79.6Confident80.4Confident174 Ų17467 Ų6793%0.9338%0.376SS*.G310 helixtrans-67.1-14.8178.7-58.6-33.7000113E246E246-D248 VanDerWaalsContact C-N 3.3Å; E246-D248 PolarHBondContact O-N 3.13Å
249S75.8Confident80.7Confident69 Ų6965.5 Ų65.548%0.48337%0.369SS..G310 helixtrans-97.810.8176.480.50000113.9K209 E246 M247K209-S249 PolarHBondContact NZ-O 3.29Å; E246-S249 PolarHBondContact O-N 3.22Å; E246-S249 VanDerWaalsContact O-N 3.12Å; E246-S249 PolarHBondContact O-OG 3.08Å; M247-S249 PolarHBondContact O-N 3.29Å; M247-S249 VanDerWaalsContact O-N 3.16Å
250L72.9Confident80.8Confident30 Ų3066.3 Ų66.316%0.15737%0.373CS..  trans-90.9104.9-178.2-70.4177.5000112.5H208 K209 L242 M247 L252H208-L250 VanDerWaalsContact CE1-CD2 3.44Å; H208-L250 WeakPolarHBondContact CE1-CD2 3.26Å; H208-L250 VanDerWaalsContact NE2-CD2 3.27Å; H208-L250 WeakPolarHBondContact NE2-CD2 3.5Å; K209-L250 HydrophobicContact CD-CD2 4.45Å; K209-L250 VanDerWaalsContact CE-CD2 3.41Å; K209-L250 HydrophobicContact CG-CD2 4.13Å; L242-L250 HydrophobicContact CB-CD1 4.48Å; L242-L250 HydrophobicContact CD1-CD1 4.23Å; L242-L250 HydrophobicContact CD2-CD1 4.03Å; L242-L250 HydrophobicContact CD2-CD2 3.96Å; L242-L250 HydrophobicContact CG-CD1 4.48Å; M247-L250 HydrophobicContact CB-CD1 4.22Å; M247-L250 HydrophobicContact CG-CD1 3.94Å; M247-L250 VanDerWaalsContact O-CB 3.27Å; M247-L250 WeakPolarHBondContact O-CB 3.49Å; M247-L250 PolarHBondContact O-N 3.48Å; M247-L250 VanDerWaalsContact O-N 3.11Å; L250-L252 HydrophobicContact CB-CD2 3.96Å; L250-L252 HydrophobicContact CB-CG 4.36Å; L250-L252 HydrophobicContact CD1-CD2 4.22Å; L250-L252 PolarHBondContact O-N 3.22Å; L250-L252 VanDerWaalsContact O-N 3.13Å
251D75.4Confident80.9Confident96 Ų9672.2 Ų72.251%0.51339%0.393SS..  trans-73.699.7155.3-171.5-5.8000109.6T253D251-T253 PolarHBondContact O-N 3.46Å; D251-T253 VanDerWaalsContact OD1-CB 3.29Å; D251-T253 WeakPolarHBondContact OD1-CB 3.45Å; D251-T253 VanDerWaalsContact OD1-CG2 3.3Å; D251-T253 WeakPolarHBondContact OD1-CG2 3.34Å; D251-T253 PolarHBondContact OD1-N 2.96Å; D251-T253 PolarHBondContact OD1-OG1 3.48Å; D251-T253 PolarHBondContact OD2-OG1 3.19Å
252L73Confident81Confident65 Ų6573.9 Ų73.934%0.3441%0.406SS..G310 helixtrans-72.8-11.7179.7-60.7176000112.8L250 L254 L255 L260L250-L252 HydrophobicContact CB-CD2 3.96Å; L250-L252 HydrophobicContact CB-CG 4.36Å; L250-L252 HydrophobicContact CD1-CD2 4.22Å; L250-L252 PolarHBondContact O-N 3.22Å; L250-L252 VanDerWaalsContact O-N 3.13Å; L252-L254 PolarHBondContact O-N 3.33Å; L252-L255 HydrophobicContact CD2-CD1 3.79Å; L252-L255 WeakPolarHBondContact O-CB 3.38Å; L252-L255 PolarHBondContact O-N 3.14Å; L252-L255 VanDerWaalsContact O-N 3.12Å; L252-L260 HydrophobicContact CB-CD2 3.93Å; L252-L260 WeakPolarHBondContact O-CD2 3.32Å
253T73.9Confident81Confident109 Ų10975.1 Ų75.167%0.66941%0.412SS*.G310 helixtrans-66.9-18.4-177.566.10000113.7D251 L255D251-T253 PolarHBondContact O-N 3.46Å; D251-T253 VanDerWaalsContact OD1-CB 3.29Å; D251-T253 WeakPolarHBondContact OD1-CB 3.45Å; D251-T253 VanDerWaalsContact OD1-CG2 3.3Å; D251-T253 WeakPolarHBondContact OD1-CG2 3.34Å; D251-T253 PolarHBondContact OD1-N 2.96Å; D251-T253 PolarHBondContact OD1-OG1 3.48Å; D251-T253 PolarHBondContact OD2-OG1 3.19Å; T253-L255 VanDerWaalsContact C-N 3.29Å
254L76.5Confident81.2Confident149 Ų14981.4 Ų81.478%0.7843%0.434SS*.G310 helixtrans-81-5.1176-60.7175.2000113.7L252L252-L254 PolarHBondContact O-N 3.33Å
255L77.7Confident81.5Confident25 Ų2584.2 Ų84.213%0.13144%0.443CS..SBendtrans-87.6146.1177.6-61.4178.5000111.2I240 L252 T253 A259 L260 I263I240-L255 HydrophobicContact CD1-CD2 3.7Å; L252-L255 HydrophobicContact CD2-CD1 3.79Å; L252-L255 WeakPolarHBondContact O-CB 3.38Å; L252-L255 PolarHBondContact O-N 3.14Å; L252-L255 VanDerWaalsContact O-N 3.12Å; T253-L255 VanDerWaalsContact C-N 3.29Å; L255-A259 HydrophobicContact CB-CB 4.4Å; L255-L260 HydrophobicContact CB-CD2 4.25Å; L255-L260 HydrophobicContact CB-CG 4.1Å; L255-L260 HydrophobicContact CD1-CD2 4.45Å; L255-I263 HydrophobicContact CD1-CD1 3.53Å
256D83.4Confident81.8Confident89 Ų8983.3 Ų83.348%0.47643%0.431SS..  trans-56.9149.9174.1177.349.2000112.1S258 A259 L260D256-S258 PolarHBondContact O-N 3.19Å; D256-S258 WeakPolarHBondContact OD2-CB 3.45Å; D256-S258 PolarHBondContact OD2-N 3.41Å; D256-A259 HydrophobicContact CB-CB 4.43Å; D256-A259 WeakPolarHBondContact O-CA 3.43Å; D256-A259 WeakPolarHBondContact O-CB 3.39Å; D256-A259 PolarHBondContact O-N 2.98Å; D256-L260 PolarHBondContact O-N 2.98Å
257E85.9Confident82.1Confident108 Ų10885.5 Ų85.551%0.50544%0.439SS..Hα-helixtrans-61.5-33.8-176.4-149.6-148.4143.300111.9L260 R261E257-L260 PolarHBondContact O-N 2.98Å; E257-R261 VanDerWaalsContact O-CG 3.26Å; E257-R261 WeakPolarHBondContact O-CG 3.45Å; E257-R261 PolarHBondContact O-N 3.26Å; E257-R261 IonicContact OE1-CZ 3.47Å; E257-R261 IonicContact OE1-NE 3.95Å; E257-R261 PolarHBondContact OE1-NE 3.5Å; E257-R261 IonicContact OE1-NH2 3.45Å; E257-R261 PolarHBondContact OE1-NH2 3.47Å; E257-R261 IonicContact OE2-CZ 2.83Å; E257-R261 IonicContact OE2-NH2 2.63Å; E257-R261 PolarHBondContact OE2-NH2 2.67Å; E257-R261 VanDerWaalsContact OE2-NH2 3.15Å
258S85.3Confident82.7Confident81 Ų8186 Ų8657%0.56644%0.444SS*.Hα-helixtrans-63.7-46.1173.8-167.40000111.5D256 L260 R261 S262D256-S258 PolarHBondContact O-N 3.19Å; D256-S258 WeakPolarHBondContact OD2-CB 3.45Å; D256-S258 PolarHBondContact OD2-N 3.41Å; S258-L260 PolarHBondContact O-N 3.3Å; S258-R261 PolarHBondContact O-N 3.25Å; S258-S262 PolarHBondContact O-N 3.45Å
259A82.9Confident83.2Confident0 Ų085.4 Ų85.40%043%0.428CS..Hα-helixtrans-61.2-44.517600000111.1V232 V234 L255 D256 R261 S262 I263V232-A259 HydrophobicContact CG1-CB 3.84Å; V234-A259 HydrophobicContact CG1-CB 4.18Å; L255-A259 HydrophobicContact CB-CB 4.4Å; D256-A259 HydrophobicContact CB-CB 4.43Å; D256-A259 WeakPolarHBondContact O-CA 3.43Å; D256-A259 WeakPolarHBondContact O-CB 3.39Å; D256-A259 PolarHBondContact O-N 2.98Å; A259-R261 PolarHBondContact O-N 3.04Å; A259-S262 WeakPolarHBondContact O-CB 3.44Å; A259-S262 PolarHBondContact O-N 2.78Å; A259-S262 VanDerWaalsContact O-N 3.14Å; A259-S262 PolarHBondContact O-OG 3.49Å; A259-I263 WeakPolarHBondContact O-CG1 3.2Å; A259-I263 PolarHBondContact O-N 3.47Å
260L86.3Confident83.8Confident30 Ų3086.3 Ų86.316%0.15743%0.427CS..Hα-helixtrans-60.3-43.1175.2-75.6175.5000113.3L252 L255 D256 E257 S258 S262 I263 R264L252-L260 HydrophobicContact CB-CD2 3.93Å; L252-L260 WeakPolarHBondContact O-CD2 3.32Å; L255-L260 HydrophobicContact CB-CD2 4.25Å; L255-L260 HydrophobicContact CB-CG 4.1Å; L255-L260 HydrophobicContact CD1-CD2 4.45Å; D256-L260 PolarHBondContact O-N 2.98Å; E257-L260 PolarHBondContact O-N 2.98Å; S258-L260 PolarHBondContact O-N 3.3Å; L260-S262 VanDerWaalsContact C-N 3.31Å; L260-S262 PolarHBondContact O-N 3.04Å; L260-I263 PolarHBondContact O-N 3.16Å; L260-R264 VanDerWaalsContact O-CG 3.31Å; L260-R264 WeakPolarHBondContact O-CG 3.38Å; L260-R264 PolarHBondContact O-N 3.28Å
261R87.3Confident84.6Confident150 Ų15088 Ų8857%0.56644%0.438SS*.Hα-helixtrans-61.4-40.9173.8-70.5169.6-172.9-170.77.6111.1E257 S258 A259 R264 L265E257-R261 VanDerWaalsContact O-CG 3.26Å; E257-R261 WeakPolarHBondContact O-CG 3.45Å; E257-R261 PolarHBondContact O-N 3.26Å; E257-R261 IonicContact OE1-CZ 3.47Å; E257-R261 IonicContact OE1-NE 3.95Å; E257-R261 PolarHBondContact OE1-NE 3.5Å; E257-R261 IonicContact OE1-NH2 3.45Å; E257-R261 PolarHBondContact OE1-NH2 3.47Å; E257-R261 IonicContact OE2-CZ 2.83Å; E257-R261 IonicContact OE2-NH2 2.63Å; E257-R261 PolarHBondContact OE2-NH2 2.67Å; E257-R261 VanDerWaalsContact OE2-NH2 3.15Å; S258-R261 PolarHBondContact O-N 3.25Å; A259-R261 PolarHBondContact O-N 3.04Å; R261-R264 PolarHBondContact O-N 2.85Å; R261-L265 PolarHBondContact O-N 2.92Å
262S86.1Confident85.3Confident43 Ų4389 Ų8930%0.30145%0.449SS..Hα-helixtrans-64.5-42.1177.483.20000112.9S258 A259 L260 L265 L266S258-S262 PolarHBondContact O-N 3.45Å; A259-S262 WeakPolarHBondContact O-CB 3.44Å; A259-S262 PolarHBondContact O-N 2.78Å; A259-S262 VanDerWaalsContact O-N 3.14Å; A259-S262 PolarHBondContact O-OG 3.49Å; L260-S262 VanDerWaalsContact C-N 3.31Å; L260-S262 PolarHBondContact O-N 3.04Å; S262-L265 PolarHBondContact O-N 3.44Å; S262-L266 PolarHBondContact O-N 3.24Å
263I87.1Confident86Confident34 Ų3492.8 Ų92.817%0.17447%0.468CS..Hα-helixtrans-64.6-43.1176.7-67.4165.7000110.6V232 L242 L255 A259 L260 L265 L266 K267V232-I263 HydrophobicContact CG1-CD1 4.02Å; V232-I263 HydrophobicContact CG1-CG1 3.96Å; V232-I263 HydrophobicContact CG2-CD1 4.07Å; V232-I263 HydrophobicContact CG2-CG1 3.9Å; L242-I263 HydrophobicContact CD1-CD1 4.46Å; L255-I263 HydrophobicContact CD1-CD1 3.53Å; A259-I263 WeakPolarHBondContact O-CG1 3.2Å; A259-I263 PolarHBondContact O-N 3.47Å; L260-I263 PolarHBondContact O-N 3.16Å; I263-L265 PolarHBondContact O-N 2.98Å; I263-L266 PolarHBondContact O-N 3.03Å; I263-K267 PolarHBondContact O-N 3.25Å
264R88.4Confident86.5Confident154 Ų15492.9 Ų92.958%0.58147%0.472SS*.Hα-helixtrans-62-41.5176.3-71.3172.2-175.2165.33.7112L260 R261 K267 N268L260-R264 VanDerWaalsContact O-CG 3.31Å; L260-R264 WeakPolarHBondContact O-CG 3.38Å; L260-R264 PolarHBondContact O-N 3.28Å; R261-R264 PolarHBondContact O-N 2.85Å; R264-K267 PolarHBondContact O-N 3.47Å; R264-N268 VanDerWaalsContact O-CG 3.26Å; R264-N268 PolarHBondContact O-N 3.46Å; R264-N268 PolarHBondContact O-OD1 3.39Å
265L90.4Very high86.5Confident95 Ų9587.1 Ų87.150%0.49745%0.449SS..Hα-helixtrans-62.9-42174.7179.963.4000111.9R261 S262 I263 N268 R269R261-L265 PolarHBondContact O-N 2.92Å; S262-L265 PolarHBondContact O-N 3.44Å; I263-L265 PolarHBondContact O-N 2.98Å; L265-N268 PolarHBondContact O-N 3.44Å; L265-R269 WeakPolarHBondContact O-CG 3.28Å; L265-R269 PolarHBondContact O-N 3.05Å; L265-R269 VanDerWaalsContact O-N 3.13Å
266L88.4Confident86.4Confident74 Ų7491.8 Ų91.839%0.38748%0.481SS..Hα-helixtrans-62.6-48.3175.6179.660.5000111.3I230 S262 I263 N268 R269 L270I230-L266 HydrophobicContact CG2-CD2 4.13Å; S262-L266 PolarHBondContact O-N 3.24Å; I263-L266 PolarHBondContact O-N 3.03Å; L266-N268 VanDerWaalsContact C-N 3.35Å; L266-N268 PolarHBondContact O-N 3.17Å; L266-R269 PolarHBondContact O-N 3.19Å; L266-L270 HydrophobicContact CD1-CD1 4.07Å; L266-L270 HydrophobicContact CD1-CG 4.12Å; L266-L270 HydrophobicContact CG-CD1 3.98Å; L266-L270 HydrophobicContact CG-CG 4.43Å; L266-L270 WeakPolarHBondContact O-CG 3.47Å; L266-L270 PolarHBondContact O-N 3.04Å
267K88.6Confident85.3Confident138 Ų13892.8 Ų92.860%0.649%0.494SS*.Hα-helixtrans-51.1-54.2174.6178.5-176.3176.2177.90110.9I263 R264 R269 L270 T271I263-K267 PolarHBondContact O-N 3.25Å; R264-K267 PolarHBondContact O-N 3.47Å; K267-R269 VanDerWaalsContact C-N 3.31Å; K267-R269 PolarHBondContact O-N 3.36Å; K267-L270 PolarHBondContact O-N 3.49Å; K267-L270 VanDerWaalsContact O-N 3.14Å; K267-T271 PolarHBondContact O-N 3.35Å; K267-T271 PolarHBondContact O-OG1 2.99Å
268N91Very high83.6Confident94 Ų94100.4 Ų100.450%0.50353%0.53SS..Hα-helixtrans-59.4-42-176.5-68.8-0.4000111.8R264 L265 L266 T271 T272R264-N268 VanDerWaalsContact O-CG 3.26Å; R264-N268 PolarHBondContact O-N 3.46Å; R264-N268 PolarHBondContact O-OD1 3.39Å; L265-N268 PolarHBondContact O-N 3.44Å; L266-N268 VanDerWaalsContact C-N 3.35Å; L266-N268 PolarHBondContact O-N 3.17Å; N268-T271 WeakPolarHBondContact CA-OG1 3.44Å; N268-T271 PolarHBondContact O-N 2.96Å; N268-T271 PolarHBondContact O-OG1 3.32Å; N268-T272 PolarHBondContact O-N 2.92Å; N268-T272 PolarHBondContact O-OG1 3.12Å
269R90.3Very high83.5Confident161 Ų161101.4 Ų101.461%0.60853%0.528SS*.Hα-helixtrans-65.4-41.9176.1-73-179.2175.4-161.3-1.3112.6L265 L266 K267 T272 L273L265-R269 WeakPolarHBondContact O-CG 3.28Å; L265-R269 PolarHBondContact O-N 3.05Å; L265-R269 VanDerWaalsContact O-N 3.13Å; L266-R269 PolarHBondContact O-N 3.19Å; K267-R269 VanDerWaalsContact C-N 3.31Å; K267-R269 PolarHBondContact O-N 3.36Å; R269-T272 PolarHBondContact O-N 3.06Å; R269-L273 WeakPolarHBondContact O-CG 3.48Å; R269-L273 PolarHBondContact O-N 3.18Å
270L88.9Confident83.5Confident88 Ų88106.7 Ų106.746%0.46156%0.556SS.*Hα-helixtrans-64.3-42176.6-68.3174.5000111.3L266 K267 T272 L273 C274L266-L270 HydrophobicContact CD1-CD1 4.07Å; L266-L270 HydrophobicContact CD1-CG 4.12Å; L266-L270 HydrophobicContact CG-CD1 3.98Å; L266-L270 HydrophobicContact CG-CG 4.43Å; L266-L270 WeakPolarHBondContact O-CG 3.47Å; L266-L270 PolarHBondContact O-N 3.04Å; K267-L270 PolarHBondContact O-N 3.49Å; K267-L270 VanDerWaalsContact O-N 3.14Å; L270-T272 VanDerWaalsContact C-N 3.29Å; L270-T272 PolarHBondContact O-N 3.06Å; L270-L273 PolarHBondContact O-N 2.99Å; L270-L273 VanDerWaalsContact O-N 3.11Å; L270-C274 WeakPolarHBondContact O-CB 3.21Å; L270-C274 PolarHBondContact O-N 3.01Å
271T90.4Very high83.4Confident64 Ų64111 Ų11139%0.39358%0.578SS.*Hα-helixtrans-65.2-28.7174.250.40000113.4K267 N268 G275K267-T271 PolarHBondContact O-N 3.35Å; K267-T271 PolarHBondContact O-OG1 2.99Å; N268-T271 WeakPolarHBondContact CA-OG1 3.44Å; N268-T271 PolarHBondContact O-N 2.96Å; N268-T271 PolarHBondContact O-OG1 3.32Å; T271-G275 CarbonylContact O-C 3.18Å; T271-G275 WeakPolarHBondContact O-CA 3.37Å; T271-G275 PolarHBondContact O-N 3.5Å; T271-G275 VanDerWaalsContact O-O 3.07Å
272T89.4Confident83.1Confident119 Ų119108.7 Ų108.773%0.7358%0.579SS**Hα-helixtrans-72.4-33.5171.8-53.90000112.3N268 R269 L270N268-T272 PolarHBondContact O-N 2.92Å; N268-T272 PolarHBondContact O-OG1 3.12Å; R269-T272 PolarHBondContact O-N 3.06Å; L270-T272 VanDerWaalsContact C-N 3.29Å; L270-T272 PolarHBondContact O-N 3.06Å
273L87.6Confident82.9Confident143 Ų143112.8 Ų112.875%0.74960%0.597SS**Hα-helixtrans-84.3-38.5-176.7-71.1170.7000113.6R269 L270R269-L273 WeakPolarHBondContact O-CG 3.48Å; R269-L273 PolarHBondContact O-N 3.18Å; L270-L273 PolarHBondContact O-N 2.99Å; L270-L273 VanDerWaalsContact O-N 3.11Å
274C84.1Confident82.7Confident111 Ų111118.1 Ų118.175%0.7563%0.625SS**Hα-helixtrans-90.7-6.3-179.6-62.30000113.2L270L270-C274 WeakPolarHBondContact O-CB 3.21Å; L270-C274 PolarHBondContact O-N 3.01Å
275G77.9Confident82.3Confident28 Ų28115.5 Ų115.529%0.28963%0.628SS.*  trans76.7175-166.100000112.4T271 S277T271-G275 CarbonylContact O-C 3.18Å; T271-G275 WeakPolarHBondContact O-CA 3.37Å; T271-G275 PolarHBondContact O-N 3.5Å; T271-G275 VanDerWaalsContact O-O 3.07Å; G275-S277 PolarHBondContact O-N 2.75Å
276P73.8Confident81.6Confident124 Ų124117.1 Ų117.181%0.80564%0.638SS**  trans-61.6128.7163.628.9-32.3000108.5
277S62.2Low81.1Confident109 Ų109120.7 Ų120.776%0.76266%0.659SS**  trans-63.4138.3163.153.40000109.1G275G275-S277 PolarHBondContact O-N 2.75Å
278E48.5Very low80.4Confident269 Ų269119.1 Ų119.1100%1.25766%0.664SS**  trans-58.50163.6-65.8-175.2137.800111.5

Retrieved 278 of 278 residues in 56.6 ms (Link to these results)